#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwm s VAL 2 N 0.00 2.45 -0.21 3.17 -7.23 -1.26 -5.12 120.40 112.20 1qwm s VAL 2 Ca 0.00 -1.12 -0.06 0.00 -1.81 0.00 0.00 61.98 58.99 1qwm s VAL 2 Cb 0.00 -1.94 -0.03 0.00 0.56 0.00 0.00 36.38 34.96 1qwm s VAL 2 CO 0.00 0.47 0.04 0.20 -0.31 0.00 0.00 175.10 175.50 1qwm s ASN 3 N -0.99 5.16 -0.09 4.85 -0.87 -1.26 -5.08 114.94 116.67 1qwm s ASN 3 Ca 0.12 -0.11 -0.07 0.00 -1.57 0.00 0.00 52.86 51.22 1qwm s ASN 3 Cb -0.10 -1.89 0.03 0.00 -0.02 0.00 0.00 41.25 39.26 1qwm s ASN 3 CO 0.02 0.08 0.23 -0.75 -2.57 0.00 0.00 177.10 174.10 1qwm s LYS 4 N 0.95 0.25 -0.11 -0.60 2.20 -1.26 -5.13 119.74 116.04 1qwm s LYS 4 Ca 0.03 0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 1qwm s LYS 4 Cb -0.14 0.09 -0.03 0.00 -1.51 0.00 0.00 37.83 36.24 1qwm s LYS 4 CO 0.02 -0.05 1.40 -0.51 -0.36 0.00 0.00 175.35 175.85 1qwm s ASP 5 N 0.30 6.85 -0.00 1.43 1.01 -1.26 -5.01 116.67 119.99 1qwm s ASP 5 Ca -0.01 1.90 -0.05 0.00 0.71 0.00 0.00 52.55 55.10 1qwm s ASP 5 Cb -0.03 -2.54 -0.00 0.00 1.01 0.00 0.00 42.92 41.36 1qwm s ASP 5 CO -0.01 -0.81 0.09 0.68 0.21 0.00 0.00 175.17 175.34 1qwm s VAL 6 N 3.55 0.07 -0.23 -1.27 -7.23 -1.26 -5.12 120.40 108.91 1qwm s VAL 6 Ca 0.61 -0.61 -0.29 0.00 -1.81 0.00 0.00 61.98 59.88 1qwm s VAL 6 Cb -0.26 -0.34 -0.01 0.00 0.56 0.00 0.00 36.38 36.33 1qwm s VAL 6 CO 0.21 -0.34 1.35 -0.54 -0.31 0.00 0.00 175.10 175.47 1qwm s LYS 7 N -1.13 4.02 0.11 4.82 1.02 -1.26 -5.00 119.74 122.32 1qwm s LYS 7 Ca -0.12 1.49 -0.30 0.00 0.02 0.00 0.00 55.97 57.06 1qwm s LYS 7 Cb -0.07 -3.87 -0.06 0.00 -0.52 0.00 0.00 37.83 33.31 1qwm s LYS 7 CO 0.01 -0.99 1.02 -1.14 -0.92 0.00 0.00 175.35 173.32 1qwm s GLN 8 N 4.01 4.64 0.29 1.68 0.74 -1.26 -5.02 119.66 124.73 1qwm s GLN 8 Ca 0.59 1.54 0.02 0.00 0.05 0.00 0.00 55.36 57.56 1qwm s GLN 8 Cb -0.20 -3.36 -0.04 0.00 1.10 0.00 0.00 33.01 30.51 1qwm s GLN 8 CO 0.21 0.11 0.14 0.95 -0.55 0.00 0.00 175.29 176.16 1qwm s THR 9 N 0.14 0.36 1.10 -0.34 -4.23 -1.26 -1.83 115.64 109.57 1qwm s THR 9 Ca 0.49 -2.00 -0.16 0.00 -1.18 0.00 0.00 61.69 58.84 1qwm s THR 9 Cb -0.25 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.29 1qwm s THR 9 CO 0.31 0.00 1.11 0.42 -0.54 0.00 0.00 174.62 175.92 1qwm s THR 10 N -3.68 1.81 -0.87 3.99 -4.23 0.38 -4.77 115.64 108.27 1qwm s THR 10 Ca 0.36 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 60.95 1qwm s THR 10 Cb 0.06 -2.52 0.07 0.00 1.34 0.00 0.00 72.50 71.45 1qwm s THR 10 CO 0.16 0.00 1.23 0.00 -0.54 0.00 0.00 174.62 175.48 1qwm n ALA 11 N -4.43 1.20 -0.28 3.99 0.00 -1.26 -1.88 120.51 117.84 1qwm n ALA 11 Ca 0.09 0.02 0.07 0.00 0.00 0.00 0.00 53.44 53.62 1qwm n ALA 11 Cb 0.59 -1.12 0.20 0.00 0.00 0.00 0.00 19.45 19.12 1qwm n ALA 11 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qwm n PHE 12 N -1.64 0.64 -0.75 0.00 3.01 -1.26 -4.97 117.46 112.48 1qwm n PHE 12 Ca 0.01 -0.53 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1qwm n PHE 12 Cb 0.06 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.48 1qwm n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qwm n GLY 13 N 0.71 0.73 3.75 1.37 0.00 -0.78 -5.04 105.19 105.93 1qwm n GLY 13 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1qwm n GLY 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwm s ALA 14 N -2.61 3.36 0.34 4.61 0.00 -1.26 -4.79 121.76 121.41 1qwm s ALA 14 Ca 0.00 0.49 -0.29 0.00 0.00 0.00 0.00 51.96 52.16 1qwm s ALA 14 Cb 0.00 -3.12 -0.12 0.00 0.00 0.00 0.00 23.12 19.88 1qwm s ALA 14 CO 0.00 0.17 1.44 -2.30 0.00 0.00 0.00 175.76 175.07 1qwm n PRO 15 N 1.96 2.46 -2.96 0.00 -0.02 -1.26 -0.47 135.00 134.72 1qwm n PRO 15 Ca -0.02 0.87 -0.41 0.00 -2.02 0.00 0.00 63.50 61.92 1qwm n PRO 15 Cb 0.48 -2.56 -0.04 0.00 -0.02 0.00 0.00 33.50 31.36 1qwm n PRO 15 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1qwm s VAL 16 N -0.82 4.94 -0.40 -1.45 1.01 -0.76 -4.74 120.40 118.18 1qwm s VAL 16 Ca 0.57 1.54 0.10 0.00 0.00 0.00 0.00 61.98 64.19 1qwm s VAL 16 Cb -0.52 -4.09 -0.12 0.00 0.00 0.00 0.00 36.38 31.65 1qwm s VAL 16 CO 0.59 0.10 0.39 -2.67 0.00 0.00 0.00 175.10 173.52 1qwm n TRP 17 N 4.76 0.00 -3.26 5.22 4.27 -1.26 -4.86 117.44 122.31 1qwm n TRP 17 Ca 0.02 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.59 1qwm n TRP 17 Cb 0.50 -0.04 -0.05 0.00 -1.36 0.00 0.00 31.31 30.36 1qwm n TRP 17 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 1qwm s ASP 18 N -2.13 -0.43 -0.07 -0.67 -1.08 -1.26 -5.00 116.67 106.04 1qwm s ASP 18 Ca 0.03 0.27 0.19 0.00 -0.52 0.00 0.00 52.55 52.52 1qwm s ASP 18 Cb 0.07 1.53 0.67 0.00 -1.46 0.00 0.00 42.92 43.74 1qwm s ASP 18 CO 0.41 -0.30 1.57 -0.67 0.52 0.00 0.00 175.17 176.70 1qwm n ASP 19 N 5.39 4.30 0.00 -0.34 2.03 -1.26 -4.38 116.55 122.29 1qwm n ASP 19 Ca -0.01 -2.26 0.00 0.00 0.52 0.00 0.00 54.79 53.05 1qwm n ASP 19 Cb 0.51 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.37 1qwm n ASP 19 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1qwm n ASN 20 N 1.30 3.00 -3.87 1.67 3.02 -1.26 -5.05 115.26 114.07 1qwm n ASN 20 Ca 0.25 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.64 1qwm n ASN 20 Cb 0.76 0.57 -0.15 0.00 -0.61 0.00 0.00 39.78 40.35 1qwm n ASN 20 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qwm s ASN 21 N -1.30 0.44 1.09 6.41 0.01 -1.26 -5.15 114.94 115.17 1qwm s ASN 21 Ca 0.00 -0.05 -0.18 0.00 -0.71 0.00 0.00 52.86 51.92 1qwm s ASN 21 Cb 0.00 -0.16 0.25 0.00 0.41 0.00 0.00 41.25 41.75 1qwm s ASN 21 CO 0.00 -0.04 1.21 0.68 -1.51 0.00 0.00 177.10 177.44 1qwm s VAL 22 N 0.54 1.78 -0.11 1.60 -7.23 -1.26 -4.88 120.40 110.84 1qwm s VAL 22 Ca -0.05 0.00 -0.18 0.00 -1.81 0.00 0.00 61.98 59.94 1qwm s VAL 22 Cb -0.09 -2.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1qwm s VAL 22 CO -0.01 0.00 0.47 -0.63 -0.31 0.00 0.00 175.10 174.62 1qwm s ILE 23 N -3.42 5.18 0.11 -0.62 -1.09 -1.26 -5.04 121.20 115.06 1qwm s ILE 23 Ca 0.72 0.94 -0.00 0.00 -2.23 0.00 0.00 60.65 60.08 1qwm s ILE 23 Cb -0.07 -3.81 -0.04 0.00 -1.58 0.00 0.00 42.46 36.96 1qwm s ILE 23 CO 0.55 0.34 0.00 0.42 -1.23 0.00 0.00 174.94 175.02 1qwm s THR 24 N 0.53 0.31 -0.92 2.92 -4.23 -1.26 -0.75 115.64 112.25 1qwm s THR 24 Ca 0.26 -1.89 -0.20 0.00 -1.18 0.00 0.00 61.69 58.67 1qwm s THR 24 Cb -0.15 -1.84 0.11 0.00 1.34 0.00 0.00 72.50 71.96 1qwm s THR 24 CO 0.10 -0.69 1.16 0.00 -0.54 0.00 0.00 174.62 174.65 1qwm s ALA 25 N -3.89 3.25 0.00 3.99 0.00 -1.09 -4.81 121.76 119.21 1qwm s ALA 25 Ca 0.17 -2.61 0.00 0.00 0.00 0.00 0.00 51.96 49.52 1qwm s ALA 25 Cb 0.07 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1qwm s ALA 25 CO -0.02 -3.05 0.00 0.41 0.00 0.00 0.00 175.76 173.10 1qwm n GLY 26 N 5.67 -1.68 0.28 0.00 0.00 -1.26 -3.24 105.19 104.97 1qwm n GLY 26 Ca 0.22 -1.55 0.15 0.00 0.00 0.00 0.00 46.02 44.85 1qwm n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwm h PRO 27 N 0.00 0.00 -0.21 1.61 0.13 -2.01 -2.49 132.00 129.04 1qwm h PRO 27 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1qwm h PRO 27 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1qwm h PRO 27 CO 0.00 0.07 0.00 0.54 -0.23 0.00 0.00 178.00 178.38 1qwm n ARG 28 N -3.55 2.83 -1.71 0.86 1.74 -1.26 -5.06 116.66 110.51 1qwm n ARG 28 Ca -0.02 -1.98 -0.29 0.00 -0.77 0.00 0.00 57.85 54.79 1qwm n ARG 28 Cb 0.19 -1.25 0.12 0.00 -1.02 0.00 0.00 32.46 30.50 1qwm n ARG 28 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qwm s GLY 29 N -1.19 1.59 0.79 -0.13 0.00 -0.94 -5.03 107.32 102.41 1qwm s GLY 29 Ca 0.18 -0.62 -0.12 0.00 0.00 0.00 0.00 44.72 44.17 1qwm s GLY 29 CO 0.09 -0.07 1.12 2.56 0.00 0.00 0.00 173.10 176.80 1qwm s PRO 30 N -5.44 1.97 0.12 2.90 0.04 -1.26 -4.50 135.00 128.83 1qwm s PRO 30 Ca 0.64 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.81 1qwm s PRO 30 Cb -0.13 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.50 1qwm s PRO 30 CO 0.51 -1.89 0.76 0.08 0.04 0.00 0.00 177.00 176.51 1qwm s VAL 31 N -2.63 4.51 0.13 -0.36 1.01 -1.26 -2.68 120.40 119.12 1qwm s VAL 31 Ca 0.65 1.66 -0.13 0.00 0.00 0.00 0.00 61.98 64.16 1qwm s VAL 31 Cb -0.21 -4.12 -0.07 0.00 0.00 0.00 0.00 36.38 31.99 1qwm s VAL 31 CO 0.53 0.47 0.50 -0.76 0.00 0.00 0.00 175.10 175.84 1qwm s LEU 32 N -0.78 4.33 0.53 3.92 1.43 0.07 -4.97 118.68 123.23 1qwm s LEU 32 Ca 0.36 0.97 0.24 0.00 -1.03 0.00 0.00 54.13 54.68 1qwm s LEU 32 Cb -0.22 -3.19 1.47 0.00 0.03 0.00 0.00 46.19 44.28 1qwm s LEU 32 CO 0.25 0.12 2.14 0.25 0.23 0.00 0.00 176.35 179.34 1qwm h LEU 33 N 3.56 0.00 0.00 1.79 5.85 -1.96 -2.16 115.31 122.39 1qwm h LEU 33 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1qwm h LEU 33 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1qwm h LEU 33 CO 0.66 0.07 0.00 0.00 -0.34 0.00 0.00 178.44 178.83 1qwm n GLN 34 N -4.01 0.57 -1.68 1.25 10.64 -1.26 -4.40 117.38 118.50 1qwm n GLN 34 Ca -0.03 0.00 -0.34 0.00 -1.83 0.00 0.00 57.00 54.80 1qwm n GLN 34 Cb 0.15 -1.12 -0.06 0.00 -0.86 0.00 0.00 30.24 28.35 1qwm n GLN 34 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1qwm n SER 35 N -0.62 2.80 0.06 2.61 7.64 -0.81 -4.76 113.62 120.54 1qwm n SER 35 Ca 0.03 -2.69 -0.07 0.00 1.01 0.00 0.00 58.87 57.16 1qwm n SER 35 Cb 0.02 -1.48 -0.12 0.00 -1.01 0.00 0.00 64.21 61.62 1qwm n SER 35 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1qwm h THR 36 N 5.51 1.70 -0.34 0.44 1.35 -1.90 -1.46 112.91 118.20 1qwm h THR 36 Ca 0.29 -3.41 -0.06 0.00 -0.55 0.00 0.00 66.41 62.69 1qwm h THR 36 Cb 0.83 2.84 -0.01 0.00 -1.73 0.00 0.00 68.15 70.08 1qwm h THR 36 CO 1.52 0.97 -0.01 -0.25 -0.25 0.00 0.00 175.52 177.50 1qwm h TRP 37 N 0.00 0.67 -0.50 4.73 -0.00 -1.97 -0.85 115.95 118.03 1qwm h TRP 37 Ca -0.02 -0.12 0.10 0.00 -0.00 0.00 0.00 58.89 58.85 1qwm h TRP 37 Cb 1.78 -0.17 -0.09 0.00 -0.00 0.00 0.00 29.16 30.68 1qwm h TRP 37 CO 0.00 0.73 -0.03 0.35 -0.00 0.00 0.00 178.44 179.49 1qwm h PHE 38 N 0.41 -0.09 -0.50 2.65 3.57 -1.88 0.21 116.94 121.32 1qwm h PHE 38 Ca 0.10 0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 1qwm h PHE 38 Cb 0.47 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1qwm h PHE 38 CO 0.04 -0.14 0.16 -0.07 -2.23 0.00 0.00 178.31 176.07 1qwm h LEU 39 N 0.08 0.72 -0.34 0.59 3.38 -1.04 0.72 115.31 119.42 1qwm h LEU 39 Ca 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 1qwm h LEU 39 Cb 0.39 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1qwm h LEU 39 CO -0.45 0.73 0.13 -0.08 0.09 0.00 0.00 178.44 178.86 1qwm h GLU 40 N 0.67 0.51 -0.24 1.13 4.81 -0.62 0.47 114.58 121.31 1qwm h GLU 40 Ca 0.16 -0.09 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1qwm h GLU 40 Cb 0.26 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1qwm h GLU 40 CO -0.01 0.51 0.01 -0.22 -0.73 0.00 0.00 179.01 178.58 1qwm h LYS 41 N 0.40 0.41 -0.16 1.92 3.64 -0.39 -0.08 116.57 122.32 1qwm h LYS 41 Ca 0.11 -0.12 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1qwm h LYS 41 Cb 0.19 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1qwm h LYS 41 CO -0.01 0.57 -0.62 -0.07 -2.27 0.00 0.00 179.45 177.05 1qwm h LEU 42 N 0.19 0.63 -0.99 5.20 -0.00 -0.86 -1.66 115.31 117.83 1qwm h LEU 42 Ca 0.07 -0.36 -0.08 0.00 -0.00 0.00 0.00 57.88 57.50 1qwm h LEU 42 Cb 0.38 -0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 40.84 1qwm h LEU 42 CO 0.01 1.10 -0.18 0.00 -0.00 0.00 0.00 178.44 179.37 1qwm h ALA 43 N 0.91 1.15 -0.34 1.53 0.00 -0.72 0.26 119.26 122.05 1qwm h ALA 43 Ca -0.01 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1qwm h ALA 43 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1qwm h ALA 43 CO 0.12 0.54 -0.07 0.00 0.00 0.00 0.00 179.25 179.84 1qwm h ALA 44 N 1.34 0.47 -0.76 0.00 0.00 -0.93 -3.03 119.26 116.34 1qwm h ALA 44 Ca 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1qwm h ALA 44 Cb 0.58 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1qwm h ALA 44 CO 0.04 0.29 0.39 0.35 0.00 0.00 0.00 179.25 180.32 1qwm h PHE 45 N 0.43 1.06 0.00 0.00 3.57 -0.71 -1.75 116.94 119.54 1qwm h PHE 45 Ca 0.09 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1qwm h PHE 45 Cb 0.56 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1qwm h PHE 45 CO 0.05 0.76 0.00 -0.25 -2.23 0.00 0.00 178.31 176.64 1qwm n ASP 46 N -4.42 0.30 -0.08 0.41 10.43 0.88 -2.21 116.55 121.85 1qwm n ASP 46 Ca 0.07 0.60 0.09 0.00 2.57 0.00 0.00 54.79 58.12 1qwm n ASP 46 Cb 0.11 -0.65 0.13 0.00 1.84 0.00 0.00 41.12 42.55 1qwm n ASP 46 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1qwm n ARG 47 N -1.86 1.29 -0.01 -1.24 1.74 -0.68 -4.77 116.66 111.12 1qwm n ARG 47 Ca 0.01 -2.48 0.02 0.00 -0.77 0.00 0.00 57.85 54.63 1qwm n ARG 47 Cb 0.11 -1.45 0.36 0.00 -1.02 0.00 0.00 32.46 30.47 1qwm n ARG 47 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1qwm h GLU 48 N 0.00 0.56 -6.02 5.56 5.08 -1.17 -3.44 114.58 115.15 1qwm h GLU 48 Ca 0.00 -0.07 -0.57 0.00 -1.00 0.00 0.00 59.36 57.72 1qwm h GLU 48 Cb 1.00 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.08 1qwm h GLU 48 CO 0.00 0.46 -0.04 1.03 -1.00 0.00 0.00 179.01 179.46 1qwm s ARG 49 N -5.28 4.31 0.31 2.33 1.81 -1.26 -5.09 118.95 116.07 1qwm s ARG 49 Ca -0.08 0.68 0.08 0.00 -1.72 0.00 0.00 55.73 54.69 1qwm s ARG 49 Cb 0.17 -3.36 -0.04 0.00 -0.45 0.00 0.00 34.95 31.27 1qwm s ARG 49 CO 0.75 0.33 0.14 0.96 -0.68 0.00 0.00 175.30 176.80 1qwm s ILE 50 N -0.04 3.38 0.19 1.52 -4.36 -1.26 -5.09 121.20 115.55 1qwm s ILE 50 Ca 0.30 -1.65 -0.33 0.00 -0.26 0.00 0.00 60.65 58.71 1qwm s ILE 50 Cb -0.18 -3.04 -0.14 0.00 1.25 0.00 0.00 42.46 40.36 1qwm s ILE 50 CO 0.16 -0.25 1.47 -2.65 0.24 0.00 0.00 174.94 173.91 1qwm n PRO 51 N -1.13 1.99 -1.16 0.37 -0.02 -1.26 -4.96 135.00 128.82 1qwm n PRO 51 Ca -0.04 0.71 -0.30 0.00 -2.02 0.00 0.00 63.50 61.85 1qwm n PRO 51 Cb 0.60 -2.41 0.13 0.00 -0.02 0.00 0.00 33.50 31.80 1qwm n PRO 51 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 1qwm s GLU 52 N 0.24 1.38 0.54 -0.52 -1.05 -1.26 -4.96 118.70 113.07 1qwm s GLU 52 Ca 0.74 0.94 -0.22 0.00 -0.15 0.00 0.00 54.97 56.29 1qwm s GLU 52 Cb -0.69 -1.81 -0.05 0.00 -0.44 0.00 0.00 34.13 31.13 1qwm s GLU 52 CO 0.44 -2.19 1.35 1.03 0.95 0.00 0.00 175.26 176.85 1qwm s ARG 53 N -4.89 3.20 0.32 -4.83 0.52 -1.26 -4.87 118.95 107.13 1qwm s ARG 53 Ca 0.63 2.23 0.13 0.00 -0.52 0.00 0.00 55.73 58.20 1qwm s ARG 53 Cb -0.18 -2.29 0.51 0.00 0.52 0.00 0.00 34.95 33.51 1qwm s ARG 53 CO 0.57 -1.14 1.69 -0.39 0.02 0.00 0.00 175.30 176.05 1qwm h VAL 54 N 1.51 1.30 -3.83 3.52 -1.51 -1.98 -3.38 116.25 111.89 1qwm h VAL 54 Ca -0.51 -1.80 -0.23 0.00 -1.23 0.00 0.00 66.70 62.94 1qwm h VAL 54 Cb 1.30 1.99 -0.15 0.00 -2.13 0.00 0.00 31.29 32.30 1qwm h VAL 54 CO 0.58 0.50 -0.69 0.68 -1.23 0.00 0.00 177.57 177.41 1qwm s VAL 55 N -3.76 0.67 -1.32 7.19 -7.23 -1.26 -4.89 120.40 109.80 1qwm s VAL 55 Ca -0.01 -1.94 -0.03 0.00 -1.81 0.00 0.00 61.98 58.19 1qwm s VAL 55 Cb 0.13 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1qwm s VAL 55 CO 0.74 -0.84 0.40 1.41 -0.31 0.00 0.00 175.10 176.50 1qwm n HIS 56 N -0.06 -1.46 0.21 2.82 -0.00 -0.50 -4.91 115.22 111.32 1qwm n HIS 56 Ca -0.12 0.34 0.05 0.00 -0.00 0.00 0.00 57.72 58.00 1qwm n HIS 56 Cb 0.61 -3.80 0.46 0.00 -0.00 0.00 0.00 29.99 27.27 1qwm n HIS 56 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1qwm h ALA 57 N 0.82 1.48 -2.80 -1.41 0.00 -1.74 -3.41 119.26 112.20 1qwm h ALA 57 Ca -0.43 -0.24 -0.67 0.00 0.00 0.00 0.00 54.91 53.57 1qwm h ALA 57 Cb 1.30 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.85 1qwm h ALA 57 CO 0.47 0.33 -0.51 0.21 0.00 0.00 0.00 179.25 179.75 1qwm s LYS 58 N -4.35 3.51 0.26 0.00 2.47 -1.26 -4.57 119.74 115.79 1qwm s LYS 58 Ca -0.03 -0.62 -0.15 0.00 -1.56 0.00 0.00 55.97 53.60 1qwm s LYS 58 Cb 0.15 -3.70 0.06 0.00 -1.46 0.00 0.00 37.83 32.88 1qwm s LYS 58 CO 0.69 -0.39 0.78 0.41 0.16 0.00 0.00 175.35 177.00 1qwm n GLY 59 N 5.06 0.92 3.06 5.54 0.00 -1.26 -1.70 105.19 116.81 1qwm n GLY 59 Ca -0.13 -1.17 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1qwm n GLY 59 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwm s SER 60 N -2.93 0.10 0.05 1.61 0.01 0.27 -4.98 113.70 107.83 1qwm s SER 60 Ca 0.17 -0.31 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 1qwm s SER 60 Cb -0.03 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.33 1qwm s SER 60 CO 0.08 -0.35 -0.01 -0.83 0.41 0.00 0.00 173.24 172.54 1qwm s GLY 61 N -1.42 0.43 0.07 3.44 0.00 -1.26 -0.42 107.32 108.16 1qwm s GLY 61 Ca -0.15 -1.13 -0.24 0.00 0.00 0.00 0.00 44.72 43.20 1qwm s GLY 61 CO 0.01 -1.25 0.58 0.00 0.00 0.00 0.00 173.10 172.44 1qwm s ALA 62 N -3.81 -1.50 0.27 3.20 0.00 -0.48 -4.53 121.76 114.92 1qwm s ALA 62 Ca 0.06 0.67 -0.02 0.00 0.00 0.00 0.00 51.96 52.67 1qwm s ALA 62 Cb 0.07 0.51 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 1qwm s ALA 62 CO -0.10 -0.58 0.49 0.71 0.00 0.00 0.00 175.76 176.28 1qwm s TYR 63 N -2.76 3.48 0.00 0.00 1.51 -0.33 -0.75 117.35 118.50 1qwm s TYR 63 Ca -0.04 0.46 0.00 0.00 -1.01 0.00 0.00 57.07 56.49 1qwm s TYR 63 Cb -0.00 -1.96 0.00 0.00 -0.11 0.00 0.00 41.96 39.88 1qwm s TYR 63 CO -0.04 0.24 0.00 0.41 -1.11 0.00 0.00 175.55 175.04 1qwm n GLY 64 N -1.04 3.05 2.79 0.71 0.00 -0.19 -0.77 105.19 109.74 1qwm n GLY 64 Ca -0.04 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 1qwm n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwm s THR 65 N -2.95 -0.00 -0.17 2.61 2.01 0.01 -1.33 115.64 115.82 1qwm s THR 65 Ca 0.00 0.17 -0.08 0.00 0.31 0.00 0.00 61.69 62.09 1qwm s THR 65 Cb 0.00 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.35 1qwm s THR 65 CO 0.00 0.09 0.12 0.12 -0.69 0.00 0.00 174.62 174.26 1qwm s PHE 66 N 0.98 3.43 -0.11 4.92 5.36 0.07 -1.25 117.98 131.37 1qwm s PHE 66 Ca -0.08 0.35 0.02 0.00 -0.96 0.00 0.00 56.93 56.25 1qwm s PHE 66 Cb -0.12 -2.06 0.02 0.00 -0.34 0.00 0.00 43.02 40.52 1qwm s PHE 66 CO -0.02 0.42 -0.16 0.99 -1.46 0.00 0.00 175.22 174.99 1qwm s THR 67 N -0.15 1.54 0.08 0.12 2.01 0.07 -1.09 115.64 118.23 1qwm s THR 67 Ca 0.10 -0.66 -0.31 0.00 0.31 0.00 0.00 61.69 61.13 1qwm s THR 67 Cb -0.12 -1.41 -0.07 0.00 0.01 0.00 0.00 72.50 70.91 1qwm s THR 67 CO 0.00 0.45 1.40 -0.69 -0.69 0.00 0.00 174.62 175.09 1qwm s VAL 68 N 1.03 3.44 -0.03 3.82 1.01 -0.73 -1.35 120.40 127.58 1qwm s VAL 68 Ca -0.05 0.98 0.09 0.00 0.00 0.00 0.00 61.98 62.99 1qwm s VAL 68 Cb -0.15 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.48 1qwm s VAL 68 CO -0.03 0.05 0.15 0.35 0.00 0.00 0.00 175.10 175.62 1qwm n THR 69 N 4.18 0.17 -4.20 3.92 -2.24 -0.14 -0.42 114.28 115.55 1qwm n THR 69 Ca 0.12 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.50 1qwm n THR 69 Cb 0.43 -0.02 -0.11 0.00 -2.10 0.00 0.00 70.33 68.52 1qwm n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwm s LYS 70 N -2.50 0.93 -0.42 -0.78 -0.14 -0.94 -4.90 119.74 110.98 1qwm s LYS 70 Ca -0.04 -1.21 -0.21 0.00 -1.36 0.00 0.00 55.97 53.16 1qwm s LYS 70 Cb 0.05 -0.67 0.02 0.00 -1.68 0.00 0.00 37.83 35.54 1qwm s LYS 70 CO 0.36 0.11 0.65 0.34 -0.76 0.00 0.00 175.35 176.06 1qwm s ASP 71 N -2.50 6.35 -0.18 2.83 -1.08 -1.26 -4.81 116.67 116.02 1qwm s ASP 71 Ca 0.07 -0.22 0.16 0.00 -0.52 0.00 0.00 52.55 52.04 1qwm s ASP 71 Cb -0.03 -2.33 0.43 0.00 -1.46 0.00 0.00 42.92 39.53 1qwm s ASP 71 CO 0.01 -0.75 1.32 2.30 0.52 0.00 0.00 175.17 178.57 1qwm n ILE 72 N 5.82 2.19 0.22 4.11 -5.35 -1.26 -4.76 119.36 120.33 1qwm n ILE 72 Ca -0.01 -2.30 0.15 0.00 -0.27 0.00 0.00 62.75 60.32 1qwm n ILE 72 Cb 0.48 -0.26 0.79 0.00 -1.74 0.00 0.00 39.64 38.90 1qwm n ILE 72 CO 0.00 0.00 0.00 0.71 -1.76 0.00 0.00 176.55 175.50 1qwm h THR 73 N 0.96 0.00 0.00 7.28 1.35 -1.82 -1.09 112.91 119.59 1qwm h THR 73 Ca 0.04 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.88 1qwm h THR 73 Cb 1.29 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1qwm h THR 73 CO 0.15 0.00 -0.09 0.07 -0.25 0.00 0.00 175.52 175.40 1qwm h LYS 74 N 0.00 0.00 0.00 4.72 2.10 -2.00 -3.22 116.57 118.18 1qwm h LYS 74 Ca 0.00 0.00 -0.22 0.00 -2.00 0.00 0.00 60.65 58.43 1qwm h LYS 74 Cb 0.03 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 1qwm h LYS 74 CO 0.00 0.09 -2.06 0.66 -2.00 0.00 0.00 179.45 176.14 1qwm n TYR 75 N -4.09 0.00 -3.81 0.07 4.02 -0.43 -4.79 117.16 108.12 1qwm n TYR 75 Ca -0.03 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.74 1qwm n TYR 75 Cb 0.18 -0.71 -0.13 0.00 -0.02 0.00 0.00 39.34 38.66 1qwm n TYR 75 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 1qwm s THR 76 N -2.66 -0.00 -2.10 -0.72 -1.32 -1.12 -2.86 115.64 104.86 1qwm s THR 76 Ca -0.08 0.01 0.17 0.00 -1.21 0.00 0.00 61.69 60.58 1qwm s THR 76 Cb 0.07 -0.23 0.45 0.00 -1.51 0.00 0.00 72.50 71.28 1qwm s THR 76 CO 0.71 0.00 1.41 2.29 -2.21 0.00 0.00 174.62 176.82 1qwm n LYS 77 N 3.04 2.15 -1.72 7.08 2.85 -0.48 -4.27 118.16 126.81 1qwm n LYS 77 Ca -0.13 -1.78 -0.42 0.00 -1.05 0.00 0.00 58.31 54.93 1qwm n LYS 77 Cb 0.59 -1.41 -0.02 0.00 -0.65 0.00 0.00 35.03 33.53 1qwm n LYS 77 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1qwm n ALA 78 N 0.95 2.49 0.21 0.58 0.00 -1.23 -4.77 120.51 118.73 1qwm n ALA 78 Ca 0.17 0.39 0.04 0.00 0.00 0.00 0.00 53.44 54.05 1qwm n ALA 78 Cb 0.44 -2.47 0.45 0.00 0.00 0.00 0.00 19.45 17.87 1qwm n ALA 78 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1qwm h LYS 79 N 5.67 0.02 -0.34 0.00 1.79 -1.94 -2.05 116.57 119.72 1qwm h LYS 79 Ca -0.45 -0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.11 1qwm h LYS 79 Cb 1.22 -0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.86 1qwm h LYS 79 CO 0.87 0.25 0.26 0.97 -1.08 0.00 0.00 179.45 180.72 1qwm h ILE 80 N 0.01 0.72 -0.38 1.86 2.10 -1.94 -2.43 117.51 117.46 1qwm h ILE 80 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1qwm h ILE 80 Cb 0.43 0.81 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1qwm h ILE 80 CO 0.03 0.00 0.00 0.49 -1.08 0.00 0.00 178.15 177.59 1qwm n PHE 81 N -4.27 0.51 0.30 2.19 3.72 -0.78 -4.78 117.46 114.36 1qwm n PHE 81 Ca 0.05 -0.51 0.13 0.00 -0.05 0.00 0.00 57.45 57.08 1qwm n PHE 81 Cb 0.43 -0.03 0.35 0.00 -0.94 0.00 0.00 39.48 39.29 1qwm n PHE 81 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1qwm h SER 82 N 2.20 0.00 -4.33 4.37 4.64 -1.40 -3.42 113.55 115.61 1qwm h SER 82 Ca 0.00 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 1qwm h SER 82 Cb 0.76 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.61 1qwm h SER 82 CO 0.00 0.00 -0.68 -0.54 -0.87 0.00 0.00 176.83 174.74 1qwm s LYS 83 N -3.32 0.17 0.23 4.77 -0.14 -1.26 -5.01 119.74 115.18 1qwm s LYS 83 Ca 0.06 -0.26 -0.30 0.00 -1.36 0.00 0.00 55.97 54.11 1qwm s LYS 83 Cb 0.07 0.07 -0.10 0.00 -1.68 0.00 0.00 37.83 36.19 1qwm s LYS 83 CO 0.61 -0.03 1.41 0.08 -0.76 0.00 0.00 175.35 176.66 1qwm s VAL 84 N -0.68 2.83 0.00 3.17 1.01 -1.26 -2.47 120.40 122.99 1qwm s VAL 84 Ca -0.08 0.69 0.00 0.00 0.00 0.00 0.00 61.98 62.59 1qwm s VAL 84 Cb -0.05 -3.44 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1qwm s VAL 84 CO -0.00 0.10 0.00 0.61 0.00 0.00 0.00 175.10 175.81 1qwm n GLY 85 N 2.34 0.87 3.72 4.51 0.00 0.44 -4.99 105.19 112.08 1qwm n GLY 85 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 1qwm n GLY 85 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qwm s LYS 86 N -0.68 4.40 -0.10 1.61 2.20 -1.03 -4.71 119.74 121.43 1qwm s LYS 86 Ca 0.00 1.92 -0.01 0.00 -0.36 0.00 0.00 55.97 57.52 1qwm s LYS 86 Cb 0.00 -3.28 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1qwm s LYS 86 CO 0.00 -0.29 -0.06 0.15 -0.36 0.00 0.00 175.35 174.79 1qwm s LYS 87 N 0.74 3.05 -0.04 4.03 1.02 -1.26 -1.78 119.74 125.49 1qwm s LYS 87 Ca 0.59 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.07 1qwm s LYS 87 Cb -0.33 -2.69 0.01 0.00 -0.52 0.00 0.00 37.83 34.30 1qwm s LYS 87 CO 0.32 0.53 -0.09 0.99 -0.92 0.00 0.00 175.35 176.17 1qwm s THR 88 N -0.43 0.86 0.52 2.17 2.01 -0.25 -4.98 115.64 115.54 1qwm s THR 88 Ca 0.07 -0.35 -0.20 0.00 0.31 0.00 0.00 61.69 61.52 1qwm s THR 88 Cb -0.12 -0.80 -0.07 0.00 0.01 0.00 0.00 72.50 71.52 1qwm s THR 88 CO 0.02 0.28 1.08 -1.61 -0.69 0.00 0.00 174.62 173.70 1qwm s GLU 89 N 0.54 3.58 0.23 4.92 0.41 -1.26 -0.75 118.70 126.37 1qwm s GLU 89 Ca -0.09 1.46 -0.06 0.00 -0.41 0.00 0.00 54.97 55.86 1qwm s GLU 89 Cb -0.13 -2.05 -0.02 0.00 -1.78 0.00 0.00 34.13 30.15 1qwm s GLU 89 CO 0.02 -0.63 0.31 0.00 -0.49 0.00 0.00 175.26 174.46 1qwm s PHE 91 N -4.01 0.24 0.03 0.00 5.36 0.00 -1.02 117.98 118.59 1qwm s PHE 91 Ca 0.31 0.03 0.08 0.00 -0.96 0.00 0.00 56.93 56.39 1qwm s PHE 91 Cb 0.03 -0.37 -0.03 0.00 -0.34 0.00 0.00 43.02 42.31 1qwm s PHE 91 CO 0.12 -0.12 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.49 1qwm s PHE 92 N 1.04 2.48 -0.10 10.12 0.40 0.07 -0.69 117.98 131.30 1qwm s PHE 92 Ca -0.10 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1qwm s PHE 92 Cb -0.13 -1.45 0.01 0.00 0.51 0.00 0.00 43.02 41.95 1qwm s PHE 92 CO -0.02 0.19 -0.17 0.50 0.70 0.00 0.00 175.22 176.42 1qwm s ARG 93 N -1.28 2.32 0.13 0.44 3.52 0.13 -1.38 118.95 122.83 1qwm s ARG 93 Ca 0.13 -0.61 0.04 0.00 -0.13 0.00 0.00 55.73 55.16 1qwm s ARG 93 Cb -0.10 -1.89 -0.04 0.00 -1.56 0.00 0.00 34.95 31.35 1qwm s ARG 93 CO 0.03 0.01 0.12 -0.06 -0.81 0.00 0.00 175.30 174.59 1qwm s PHE 94 N 0.76 3.17 0.20 5.12 0.40 0.44 -1.11 117.98 126.98 1qwm s PHE 94 Ca -0.11 0.02 -0.23 0.00 -0.60 0.00 0.00 56.93 56.02 1qwm s PHE 94 Cb -0.16 -1.56 0.05 0.00 0.51 0.00 0.00 43.02 41.86 1qwm s PHE 94 CO 0.02 0.52 0.71 -1.54 0.70 0.00 0.00 175.22 175.63 1qwm s SER 95 N -2.82 -0.37 0.23 1.36 1.04 -1.13 -0.57 113.70 111.44 1qwm s SER 95 Ca 0.30 -0.33 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1qwm s SER 95 Cb -0.11 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 1qwm s SER 95 CO 0.23 -1.12 0.00 0.35 0.98 0.00 0.00 173.24 173.68 1qwm n THR 96 N -0.42 0.00 0.01 2.02 -2.24 -0.69 -0.32 114.28 112.65 1qwm n THR 96 Ca -0.09 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1qwm n THR 96 Cb 0.62 -1.51 -0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1qwm n THR 96 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1qwm n VAL 97 N -0.68 0.39 0.05 2.28 0.31 -1.25 -3.87 118.33 115.56 1qwm n VAL 97 Ca 0.00 0.12 -0.19 0.00 -0.01 0.00 0.00 64.34 64.26 1qwm n VAL 97 Cb 0.00 -1.53 -0.14 0.00 -0.91 0.00 0.00 33.84 31.25 1qwm n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qwm h ALA 98 N -0.01 0.32 -2.95 3.52 0.00 -1.91 -1.33 119.26 116.89 1qwm h ALA 98 Ca -0.01 -1.22 -0.54 0.00 0.00 0.00 0.00 54.91 53.15 1qwm h ALA 98 Cb 0.70 0.44 0.12 0.00 0.00 0.00 0.00 17.79 19.06 1qwm h ALA 98 CO -0.00 1.19 0.57 0.20 0.00 0.00 0.00 179.25 181.20 1qwm s GLY 99 N -5.15 2.85 0.97 0.00 0.00 -1.26 -4.89 107.32 99.84 1qwm s GLY 99 Ca -0.13 1.22 -0.16 0.00 0.00 0.00 0.00 44.72 45.65 1qwm s GLY 99 CO 0.83 1.71 1.33 -0.54 0.00 0.00 0.00 173.10 176.44 1qwm s GLU 100 N -2.94 0.57 0.43 2.90 8.01 -1.26 -3.98 118.70 122.43 1qwm s GLU 100 Ca 0.71 -0.43 0.29 0.00 0.01 0.00 0.00 54.97 55.56 1qwm s GLU 100 Cb -0.37 -1.84 1.45 0.00 -4.31 0.00 0.00 34.13 29.06 1qwm s GLU 100 CO 0.43 -2.46 1.59 0.00 0.01 0.00 0.00 175.26 174.83 1qwm h ARG 101 N -1.68 0.02 -0.42 1.61 3.08 -1.96 -1.25 114.38 113.78 1qwm h ARG 101 Ca -0.44 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1qwm h ARG 101 Cb 1.23 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1qwm h ARG 101 CO 0.37 0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.69 1qwm n GLY 102 N -1.46 3.34 3.77 0.04 0.00 -1.26 -4.83 105.19 104.79 1qwm n GLY 102 Ca 0.39 -0.86 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 1qwm n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qwm s SER 103 N -1.33 3.25 0.32 1.61 1.04 -0.47 -5.01 113.70 113.10 1qwm s SER 103 Ca 0.43 0.94 -0.22 0.00 0.48 0.00 0.00 55.95 57.58 1qwm s SER 103 Cb 0.31 -1.49 -0.10 0.00 0.10 0.00 0.00 66.02 64.85 1qwm s SER 103 CO 0.15 -2.71 0.86 0.00 0.98 0.00 0.00 173.24 172.52 1qwm s ALA 104 N -3.25 3.25 0.15 5.32 0.00 -1.26 -4.87 121.76 121.09 1qwm s ALA 104 Ca 0.65 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.84 1qwm s ALA 104 Cb -0.15 -3.03 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1qwm s ALA 104 CO 0.54 0.23 1.52 -0.44 0.00 0.00 0.00 175.76 177.60 1qwm h ASP 105 N 2.89 0.99 -1.88 0.00 3.32 -1.14 -3.38 116.42 117.21 1qwm h ASP 105 Ca -0.48 -0.42 -0.76 0.00 0.02 0.00 0.00 57.03 55.40 1qwm h ASP 105 Cb 1.19 -0.27 -0.18 0.00 0.22 0.00 0.00 39.33 40.28 1qwm h ASP 105 CO 0.64 1.19 1.62 0.00 -1.72 0.00 0.00 179.24 180.97 1qwm n ALA 106 N -2.52 4.90 -2.39 3.45 0.00 -1.26 -4.91 120.51 117.78 1qwm n ALA 106 Ca -0.01 -4.38 -0.20 0.00 0.00 0.00 0.00 53.44 48.86 1qwm n ALA 106 Cb 0.48 -2.90 -0.10 0.00 0.00 0.00 0.00 19.45 16.93 1qwm n ALA 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1qwm s VAL 107 N 0.21 1.48 -0.31 0.00 -7.23 -1.26 -4.63 120.40 108.65 1qwm s VAL 107 Ca 0.39 -2.11 -0.21 0.00 -1.81 0.00 0.00 61.98 58.25 1qwm s VAL 107 Cb 0.05 -2.36 -0.01 0.00 0.56 0.00 0.00 36.38 34.62 1qwm s VAL 107 CO 0.01 -0.35 0.65 -0.60 -0.31 0.00 0.00 175.10 174.50 1qwm s ARG 108 N -3.75 3.87 -0.18 4.82 3.52 -1.26 -4.55 118.95 121.41 1qwm s ARG 108 Ca 0.28 0.29 -0.34 0.00 -0.13 0.00 0.00 55.73 55.83 1qwm s ARG 108 Cb 0.04 -3.74 0.14 0.00 -1.56 0.00 0.00 34.95 29.83 1qwm s ARG 108 CO 0.10 -0.61 1.19 0.34 -0.81 0.00 0.00 175.30 175.51 1qwm s ASP 109 N 1.66 -0.15 0.75 -2.12 3.68 -1.02 -5.04 116.67 114.44 1qwm s ASP 109 Ca 0.26 0.02 -0.13 0.00 2.13 0.00 0.00 52.55 54.83 1qwm s ASP 109 Cb -0.15 0.16 0.05 0.00 -1.45 0.00 0.00 42.92 41.53 1qwm s ASP 109 CO 0.12 -0.25 1.16 -2.84 0.13 0.00 0.00 175.17 173.49 1qwm s PRO 110 N -2.30 2.11 -0.11 4.34 0.02 -1.26 -4.72 135.00 133.07 1qwm s PRO 110 Ca 0.09 1.54 0.01 0.00 0.02 0.00 0.00 61.00 62.66 1qwm s PRO 110 Cb -0.01 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 1qwm s PRO 110 CO -0.05 -1.82 -0.13 1.03 -0.33 0.00 0.00 177.00 175.70 1qwm s ARG 111 N -4.24 3.16 0.49 5.54 1.81 -1.26 -3.75 118.95 120.70 1qwm s ARG 111 Ca 0.69 -0.69 -0.22 0.00 -1.72 0.00 0.00 55.73 53.79 1qwm s ARG 111 Cb -0.24 -2.56 -0.07 0.00 -0.45 0.00 0.00 34.95 31.63 1qwm s ARG 111 CO 0.48 0.32 1.19 0.20 -0.68 0.00 0.00 175.30 176.81 1qwm s GLY 112 N 0.08 2.78 -0.39 -3.53 0.00 0.56 -0.48 107.32 106.33 1qwm s GLY 112 Ca -0.06 0.99 0.08 0.00 0.00 0.00 0.00 44.72 45.73 1qwm s GLY 112 CO 0.04 1.44 0.53 0.33 0.00 0.00 0.00 173.10 175.44 1qwm n PHE 113 N -0.70 -0.30 -3.27 1.90 -0.00 0.60 -2.84 117.46 112.85 1qwm n PHE 113 Ca 0.08 -3.58 -0.38 0.00 -0.00 0.00 0.00 57.45 53.58 1qwm n PHE 113 Cb 0.48 -0.36 -0.06 0.00 -0.00 0.00 0.00 39.48 39.54 1qwm n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1qwm s ALA 114 N -1.24 3.47 -0.04 3.13 0.00 -0.26 -1.31 121.76 125.52 1qwm s ALA 114 Ca 0.35 -0.19 0.03 0.00 0.00 0.00 0.00 51.96 52.16 1qwm s ALA 114 Cb 0.18 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.58 1qwm s ALA 114 CO -0.11 -0.10 -0.13 -1.64 0.00 0.00 0.00 175.76 173.78 1qwm s MET 115 N 0.84 1.42 -0.19 0.00 -1.94 -0.51 -0.69 119.30 118.22 1qwm s MET 115 Ca 0.27 -0.46 0.01 0.00 -1.71 0.00 0.00 55.69 53.79 1qwm s MET 115 Cb -0.15 -1.26 0.04 0.00 2.01 0.00 0.00 34.83 35.46 1qwm s MET 115 CO 0.11 0.17 -0.11 0.21 -0.01 0.00 0.00 175.02 175.39 1qwm s LYS 116 N 0.14 2.08 -0.22 2.03 2.20 0.13 -0.65 119.74 125.46 1qwm s LYS 116 Ca -0.04 -0.78 -0.06 0.00 -0.36 0.00 0.00 55.97 54.73 1qwm s LYS 116 Cb -0.10 -2.35 -0.03 0.00 -1.51 0.00 0.00 37.83 33.84 1qwm s LYS 116 CO 0.01 -0.39 0.04 0.71 -0.36 0.00 0.00 175.35 175.36 1qwm s TYR 117 N 1.42 3.09 -1.18 4.03 1.51 0.32 -0.82 117.35 125.73 1qwm s TYR 117 Ca 0.00 -0.36 -0.15 0.00 -1.01 0.00 0.00 57.07 55.56 1qwm s TYR 117 Cb -0.15 -2.14 0.16 0.00 -0.11 0.00 0.00 41.96 39.71 1qwm s TYR 117 CO -0.09 -0.22 1.41 0.71 -1.11 0.00 0.00 175.55 176.25 1qwm s TYR 118 N 1.14 3.41 0.67 2.71 2.02 -0.24 -0.68 117.35 126.38 1qwm s TYR 118 Ca 0.04 -2.01 -0.04 0.00 -0.37 0.00 0.00 57.07 54.69 1qwm s TYR 118 Cb -0.14 -4.33 0.07 0.00 -0.40 0.00 0.00 41.96 37.15 1qwm s TYR 118 CO 0.02 -1.43 0.94 0.95 -1.57 0.00 0.00 175.55 174.47 1qwm s THR 119 N 1.86 2.38 -1.06 -0.71 -4.23 -0.79 -4.52 115.64 108.56 1qwm s THR 119 Ca 0.42 -0.43 0.21 0.00 -1.18 0.00 0.00 61.69 60.71 1qwm s THR 119 Cb -0.03 -2.94 0.20 0.00 1.34 0.00 0.00 72.50 71.07 1qwm s THR 119 CO -0.01 0.00 1.66 -1.84 -0.54 0.00 0.00 174.62 173.89 1qwm n GLU 120 N -2.75 0.04 -0.97 3.99 0.28 -1.26 -2.83 120.64 117.14 1qwm n GLU 120 Ca 0.09 0.14 0.03 0.00 -0.16 0.00 0.00 57.16 57.25 1qwm n GLU 120 Cb 0.60 -1.50 0.15 0.00 1.43 0.00 0.00 31.44 32.12 1qwm n GLU 120 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1qwm n GLU 121 N -1.47 1.49 0.00 3.44 1.02 -1.26 -4.83 120.64 119.02 1qwm n GLU 121 Ca 0.06 -3.15 0.00 0.00 -0.02 0.00 0.00 57.16 54.05 1qwm n GLU 121 Cb 0.23 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1qwm n GLU 121 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qwm n GLY 122 N -0.75 3.00 3.67 0.62 0.00 -1.13 -4.61 105.19 105.99 1qwm n GLY 122 Ca 0.19 -2.04 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1qwm n GLY 122 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qwm s ASN 123 N 0.00 7.08 -0.38 1.61 0.01 -1.26 -1.89 114.94 120.11 1qwm s ASN 123 Ca 0.00 1.59 -0.17 0.00 -0.71 0.00 0.00 52.86 53.57 1qwm s ASN 123 Cb 0.00 -2.55 0.01 0.00 0.41 0.00 0.00 41.25 39.12 1qwm s ASN 123 CO 0.00 -0.62 0.43 0.86 -1.51 0.00 0.00 177.10 176.26 1qwm s TRP 124 N 2.76 3.18 -0.26 2.20 -0.00 0.14 -4.58 118.94 122.39 1qwm s TRP 124 Ca 0.50 -0.16 -0.15 0.00 -0.00 0.00 0.00 56.10 56.30 1qwm s TRP 124 Cb -0.20 -2.84 -0.04 0.00 -0.00 0.00 0.00 33.47 30.39 1qwm s TRP 124 CO 0.15 -0.59 0.37 -0.51 -0.00 0.00 0.00 176.95 176.36 1qwm s ASP 125 N 1.78 6.27 -0.36 5.86 -0.00 -0.33 -0.52 116.67 129.39 1qwm s ASP 125 Ca 0.13 0.32 -0.01 0.00 -0.00 0.00 0.00 52.55 52.99 1qwm s ASP 125 Cb -0.16 -2.21 0.08 0.00 -0.00 0.00 0.00 42.92 40.63 1qwm s ASP 125 CO 0.13 -0.15 0.10 -0.22 -0.00 0.00 0.00 175.17 175.03 1qwm s LEU 126 N 1.90 4.65 -0.99 1.23 2.96 0.18 -4.55 118.68 124.05 1qwm s LEU 126 Ca 0.15 -1.75 -0.14 0.00 -0.22 0.00 0.00 54.13 52.17 1qwm s LEU 126 Cb -0.15 -1.75 0.20 0.00 0.50 0.00 0.00 46.19 44.98 1qwm s LEU 126 CO 0.09 -0.41 1.07 -0.69 -1.32 0.00 0.00 176.35 175.10 1qwm s VAL 127 N 1.15 5.32 0.66 1.68 1.01 -1.26 -1.43 120.40 127.53 1qwm s VAL 127 Ca 0.03 -2.43 0.04 0.00 0.00 0.00 0.00 61.98 59.62 1qwm s VAL 127 Cb -0.21 -4.67 0.11 0.00 0.00 0.00 0.00 36.38 31.61 1qwm s VAL 127 CO -0.03 -1.32 0.90 -0.83 0.00 0.00 0.00 175.10 173.82 1qwm s GLY 128 N 2.56 1.75 0.28 4.51 0.00 -0.42 -4.93 107.32 111.06 1qwm s GLY 128 Ca 0.30 -1.92 0.02 0.00 0.00 0.00 0.00 44.72 43.11 1qwm s GLY 128 CO -0.07 -1.40 0.11 -1.31 0.00 0.00 0.00 173.10 170.43 1qwm s ASN 129 N -4.71 1.41 -0.11 1.64 0.01 -0.87 -0.29 114.94 112.02 1qwm s ASN 129 Ca 0.64 -1.44 0.01 0.00 -0.71 0.00 0.00 52.86 51.37 1qwm s ASN 129 Cb -0.05 0.22 0.18 0.00 0.41 0.00 0.00 41.25 42.01 1qwm s ASN 129 CO 0.42 -0.77 1.19 -0.46 -1.51 0.00 0.00 177.10 175.96 1qwm n ASN 130 N -0.63 3.07 -3.77 -1.22 6.94 0.36 -0.68 115.26 119.33 1qwm n ASN 130 Ca -0.00 -2.40 -0.13 0.00 -0.02 0.00 0.00 54.58 52.03 1qwm n ASN 130 Cb 0.66 -0.58 -0.10 0.00 -2.36 0.00 0.00 39.78 37.39 1qwm n ASN 130 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1qwm s THR 131 N -0.94 0.03 -0.82 5.53 -1.32 -1.26 -4.73 115.64 112.12 1qwm s THR 131 Ca 0.15 -0.22 0.24 0.00 -1.21 0.00 0.00 61.69 60.65 1qwm s THR 131 Cb 0.12 -0.50 0.23 0.00 -1.51 0.00 0.00 72.50 70.85 1qwm s THR 131 CO 0.03 -0.12 1.76 -0.81 -2.21 0.00 0.00 174.62 173.27 1qwm n PRO 132 N 2.22 0.12 -4.51 7.08 -0.04 -1.26 -4.54 135.00 134.07 1qwm n PRO 132 Ca -0.17 0.19 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 1qwm n PRO 132 Cb 0.57 -1.67 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 1qwm n PRO 132 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1qwm s VAL 133 N -3.09 1.19 0.27 0.52 -7.23 -1.26 -4.37 120.40 106.43 1qwm s VAL 133 Ca 0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.28 1qwm s VAL 133 Cb 0.13 -2.69 -0.05 0.00 0.56 0.00 0.00 36.38 34.33 1qwm s VAL 133 CO 0.48 0.00 0.10 0.12 -0.31 0.00 0.00 175.10 175.49 1qwm s PHE 134 N -3.17 1.57 0.07 2.82 2.19 -0.16 -4.92 117.98 116.37 1qwm s PHE 134 Ca 0.32 -1.20 0.24 0.00 0.33 0.00 0.00 56.93 56.62 1qwm s PHE 134 Cb 0.07 -0.91 0.86 0.00 -1.31 0.00 0.00 43.02 41.72 1qwm s PHE 134 CO 0.15 -0.35 1.80 0.74 1.83 0.00 0.00 175.22 179.39 1qwm h PHE 135 N 2.34 0.00 -3.63 10.12 -1.00 -1.88 -3.39 116.94 119.50 1qwm h PHE 135 Ca -0.38 0.00 -0.30 0.00 2.81 0.00 0.00 57.97 60.10 1qwm h PHE 135 Cb 1.25 0.00 -0.15 0.00 3.61 0.00 0.00 35.95 40.66 1qwm h PHE 135 CO 0.55 0.21 -0.68 0.96 -1.61 0.00 0.00 178.31 177.74 1qwm s ILE 136 N -3.56 0.83 0.00 -0.55 -4.36 -1.26 -3.07 121.20 109.22 1qwm s ILE 136 Ca 0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.41 1qwm s ILE 136 Cb 0.09 -2.05 0.00 0.00 1.25 0.00 0.00 42.46 41.75 1qwm s ILE 136 CO 0.64 -0.55 0.52 -2.11 0.24 0.00 0.00 174.94 173.68 1qwm n ARG 137 N -0.24 0.43 -4.06 0.37 1.85 -1.26 -4.58 116.66 109.17 1qwm n ARG 137 Ca -0.08 -0.65 -0.24 0.00 -1.00 0.00 0.00 57.85 55.88 1qwm n ARG 137 Cb 0.63 -0.81 -0.17 0.00 -1.05 0.00 0.00 32.46 31.06 1qwm n ARG 137 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1qwm s ASP 138 N -0.26 1.78 0.60 2.89 3.68 -1.26 -3.77 116.67 120.33 1qwm s ASP 138 Ca 0.00 -0.23 0.29 0.00 2.13 0.00 0.00 52.55 54.74 1qwm s ASP 138 Cb 0.00 -0.70 1.54 0.00 -1.45 0.00 0.00 42.92 42.31 1qwm s ASP 138 CO 0.00 -0.09 1.94 0.00 0.13 0.00 0.00 175.17 177.15 1qwm h ALA 139 N 7.80 1.97 0.00 3.66 0.00 -1.84 -1.12 119.26 129.72 1qwm h ALA 139 Ca -0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qwm h ALA 139 Cb 1.14 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qwm h ALA 139 CO 0.40 -0.57 -0.01 0.97 0.00 0.00 0.00 179.25 180.05 1qwm h ILE 140 N 0.00 0.18 -0.00 0.00 2.10 -1.96 -0.65 117.51 117.18 1qwm h ILE 140 Ca 0.15 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 66.03 1qwm h ILE 140 Cb 0.95 1.05 0.00 0.00 -1.09 0.00 0.00 36.82 37.73 1qwm h ILE 140 CO -0.00 0.01 -0.18 0.29 -1.08 0.00 0.00 178.15 177.18 1qwm n LYS 141 N -3.33 0.32 -0.15 2.19 4.76 -0.42 -4.39 118.16 117.13 1qwm n LYS 141 Ca -0.03 -0.11 -0.06 0.00 -2.87 0.00 0.00 58.31 55.24 1qwm n LYS 141 Cb 0.10 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.81 1qwm n LYS 141 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1qwm h PHE 142 N 0.27 0.51 -0.38 2.13 3.04 -1.28 -1.29 116.94 119.95 1qwm h PHE 142 Ca 0.00 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.93 1qwm h PHE 142 Cb 0.44 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.76 1qwm h PHE 142 CO 0.00 0.30 0.10 -1.35 -2.02 0.00 0.00 178.31 175.34 1qwm h PRO 143 N 0.55 0.55 0.02 6.41 0.11 -1.80 -1.09 132.00 136.75 1qwm h PRO 143 Ca 0.19 -0.09 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1qwm h PRO 143 Cb 0.02 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.03 1qwm h PRO 143 CO -0.09 0.50 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.76 1qwm h ASP 144 N 0.54 -0.02 -0.41 -2.05 3.32 -1.66 -0.17 116.42 115.97 1qwm h ASP 144 Ca 0.13 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1qwm h ASP 144 Cb 0.19 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1qwm h ASP 144 CO -0.01 0.19 0.22 0.15 -1.72 0.00 0.00 179.24 178.08 1qwm h PHE 145 N -0.23 0.57 -0.59 4.55 3.04 -0.99 -2.01 116.94 121.28 1qwm h PHE 145 Ca -0.00 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.87 1qwm h PHE 145 Cb 0.22 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.52 1qwm h PHE 145 CO -0.01 0.44 0.13 0.82 -2.02 0.00 0.00 178.31 177.67 1qwm h ILE 146 N 0.53 1.25 -0.85 1.41 1.08 -1.20 -1.55 117.51 118.19 1qwm h ILE 146 Ca 0.14 -0.93 0.10 0.00 -0.39 0.00 0.00 64.86 63.78 1qwm h ILE 146 Cb 0.06 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 34.46 1qwm h ILE 146 CO -0.02 0.34 0.49 0.45 -0.69 0.00 0.00 178.15 178.72 1qwm h HIS 147 N 0.86 0.89 0.00 1.37 3.86 -0.69 -1.10 115.15 120.34 1qwm h HIS 147 Ca 0.18 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.39 1qwm h HIS 147 Cb 0.37 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1qwm h HIS 147 CO 0.03 0.36 -0.15 1.79 0.86 0.00 0.00 177.93 180.82 1qwm h THR 148 N 0.82 0.49 0.00 2.45 1.35 -0.56 -2.87 112.91 114.58 1qwm h THR 148 Ca 0.41 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1qwm h THR 148 Cb 0.37 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1qwm h THR 148 CO -0.25 0.14 -0.52 0.00 -0.25 0.00 0.00 175.52 174.64 1qwm n GLN 149 N -3.48 0.21 0.00 4.72 1.13 -0.47 -3.83 117.38 115.66 1qwm n GLN 149 Ca -0.01 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 1qwm n GLN 149 Cb 0.31 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.02 1qwm n GLN 149 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1qwm n LYS 150 N -1.94 2.22 -4.02 -1.09 5.02 -0.88 -4.90 118.16 112.55 1qwm n LYS 150 Ca 0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.02 1qwm n LYS 150 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.36 1qwm n LYS 150 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1qwm s ARG 151 N 4.74 3.08 0.28 1.97 0.52 -1.26 -4.31 118.95 123.97 1qwm s ARG 151 Ca 0.00 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.34 1qwm s ARG 151 Cb 0.00 -2.85 -0.12 0.00 0.52 0.00 0.00 34.95 32.50 1qwm s ARG 151 CO 0.00 0.60 1.54 -3.47 0.02 0.00 0.00 175.30 173.99 1qwm n ASP 152 N 0.61 3.54 0.30 0.23 -0.08 0.16 -4.83 116.55 116.48 1qwm n ASP 152 Ca -0.09 1.15 0.19 0.00 -1.51 0.00 0.00 54.79 54.53 1qwm n ASP 152 Cb 0.52 -1.55 0.91 0.00 2.34 0.00 0.00 41.12 43.34 1qwm n ASP 152 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1qwm h PRO 153 N 4.54 0.00 0.01 -0.67 0.13 -1.95 -0.70 132.00 133.35 1qwm h PRO 153 Ca -0.46 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.26 1qwm h PRO 153 Cb 1.24 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.31 1qwm h PRO 153 CO 0.78 0.02 -2.27 0.94 -0.23 0.00 0.00 178.00 177.23 1qwm n GLN 154 N -3.18 0.60 0.04 0.86 7.27 -1.26 -4.66 117.38 117.04 1qwm n GLN 154 Ca -0.01 0.31 0.12 0.00 0.07 0.00 0.00 57.00 57.48 1qwm n GLN 154 Cb 0.20 -1.55 0.17 0.00 2.41 0.00 0.00 30.24 31.46 1qwm n GLN 154 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1qwm n THR 155 N -4.12 0.22 -1.96 1.69 -2.24 -1.20 -4.94 114.28 101.72 1qwm n THR 155 Ca -0.48 -0.19 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 1qwm n THR 155 Cb 0.87 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 69.09 1qwm n THR 155 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1qwm n ASN 156 N -1.91 -5.70 -4.65 3.42 5.15 -0.27 -4.94 115.26 106.36 1qwm n ASN 156 Ca 0.04 0.28 -0.29 0.00 -0.60 0.00 0.00 54.58 54.01 1qwm n ASN 156 Cb 0.41 -4.90 -0.08 0.00 -0.53 0.00 0.00 39.78 34.68 1qwm n ASN 156 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qwm s LEU 157 N -5.34 3.29 0.71 1.20 1.43 -1.26 -4.69 118.68 114.03 1qwm s LEU 157 Ca 0.00 -0.32 -0.16 0.00 -1.03 0.00 0.00 54.13 52.62 1qwm s LEU 157 Cb 0.00 -2.01 0.02 0.00 0.03 0.00 0.00 46.19 44.23 1qwm s LEU 157 CO 0.00 0.14 1.22 -2.65 0.23 0.00 0.00 176.35 175.29 1qwm n PRO 158 N 0.32 0.74 -3.53 1.29 -0.02 -1.26 -0.67 135.00 131.87 1qwm n PRO 158 Ca -0.11 0.32 -0.23 0.00 -2.02 0.00 0.00 63.50 61.46 1qwm n PRO 158 Cb 0.53 -2.46 -0.14 0.00 -0.02 0.00 0.00 33.50 31.41 1qwm n PRO 158 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1qwm s ASN 159 N -1.65 2.21 0.49 2.55 3.84 -1.26 -4.82 114.94 116.29 1qwm s ASN 159 Ca 0.79 -0.66 0.15 0.00 0.21 0.00 0.00 52.86 53.34 1qwm s ASN 159 Cb -0.35 0.05 1.14 0.00 -0.55 0.00 0.00 41.25 41.54 1qwm s ASN 159 CO 0.45 -0.37 2.08 0.45 -2.79 0.00 0.00 177.10 176.92 1qwm h HIS 160 N 8.36 0.03 -0.29 0.43 3.86 -1.92 -2.39 115.15 123.23 1qwm h HIS 160 Ca -0.17 -0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.08 1qwm h HIS 160 Cb 1.11 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 29.54 1qwm h HIS 160 CO 0.20 0.09 0.09 -0.44 0.86 0.00 0.00 177.93 178.72 1qwm h ASP 161 N 0.03 0.08 -0.25 2.45 3.45 -1.95 -1.93 116.42 118.30 1qwm h ASP 161 Ca 0.01 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.50 1qwm h ASP 161 Cb 0.12 0.03 -0.01 0.00 -0.56 0.00 0.00 39.33 38.91 1qwm h ASP 161 CO 0.01 0.08 0.16 0.24 -1.57 0.00 0.00 179.24 178.16 1qwm h MET 162 N 0.21 0.33 -0.22 3.56 2.86 -1.75 0.17 114.93 120.09 1qwm h MET 162 Ca 0.13 -0.02 0.06 0.00 -2.06 0.00 0.00 59.70 57.80 1qwm h MET 162 Cb 0.11 -0.07 -0.07 0.00 0.06 0.00 0.00 31.60 31.63 1qwm h MET 162 CO -0.14 0.24 -0.24 0.28 1.06 0.00 0.00 176.91 178.10 1qwm h VAL 163 N 0.32 0.39 0.00 -2.22 2.07 -1.34 -1.99 116.25 113.48 1qwm h VAL 163 Ca 0.09 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.40 1qwm h VAL 163 Cb -0.01 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.12 1qwm h VAL 163 CO -0.02 0.00 -1.18 -0.50 0.02 0.00 0.00 177.57 175.89 1qwm h TRP 164 N -0.26 0.00 -0.35 1.57 4.06 -1.22 -2.16 115.95 117.59 1qwm h TRP 164 Ca 0.13 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.15 1qwm h TRP 164 Cb 0.46 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.56 1qwm h TRP 164 CO -0.39 0.87 -0.07 0.22 -3.56 0.00 0.00 178.44 175.52 1qwm h ASP 165 N 0.00 -0.29 0.38 -3.49 3.58 -0.58 0.10 116.42 116.12 1qwm h ASP 165 Ca -0.11 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.42 1qwm h ASP 165 Cb 1.76 0.20 0.00 0.00 1.72 0.00 0.00 39.33 43.02 1qwm h ASP 165 CO 0.10 -0.10 -0.18 0.15 -2.88 0.00 0.00 179.24 176.32 1qwm h PHE 166 N 0.02 -0.48 -0.84 0.28 3.04 -1.32 -2.61 116.94 115.04 1qwm h PHE 166 Ca 0.17 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 62.16 1qwm h PHE 166 Cb 0.26 0.16 -0.05 0.00 2.56 0.00 0.00 35.95 38.87 1qwm h PHE 166 CO -0.31 -0.16 0.55 -1.49 -2.02 0.00 0.00 178.31 174.89 1qwm h TRP 167 N -0.80 0.97 0.00 0.41 6.55 -1.35 -1.23 115.95 120.50 1qwm h TRP 167 Ca -0.05 0.02 -0.06 0.00 0.95 0.00 0.00 58.89 59.75 1qwm h TRP 167 Cb 0.53 -0.32 -0.01 0.00 -0.86 0.00 0.00 29.16 28.50 1qwm h TRP 167 CO 0.01 0.53 -0.31 0.66 -1.05 0.00 0.00 178.44 178.28 1qwm h SER 168 N 0.97 0.00 0.18 -3.49 4.64 -0.81 -2.76 113.55 112.29 1qwm h SER 168 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 1qwm h SER 168 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1qwm h SER 168 CO -0.12 0.31 -0.30 0.59 -0.87 0.00 0.00 176.83 176.44 1qwm n ASN 169 N -3.70 1.25 -3.39 4.97 3.02 -0.57 -4.48 115.26 112.36 1qwm n ASN 169 Ca -0.01 -1.04 -0.26 0.00 -0.03 0.00 0.00 54.58 53.24 1qwm n ASN 169 Cb 0.41 0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 39.71 1qwm n ASN 169 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1qwm n VAL 170 N -0.50 1.15 0.30 2.41 0.31 -0.60 -4.99 118.33 116.40 1qwm n VAL 170 Ca 0.12 -4.71 0.19 0.00 -0.01 0.00 0.00 64.34 59.92 1qwm n VAL 170 Cb 0.37 -2.04 0.86 0.00 -0.91 0.00 0.00 33.84 32.13 1qwm n VAL 170 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1qwm h PRO 171 N 4.31 0.00 0.00 5.55 0.13 -1.79 -0.63 132.00 139.58 1qwm h PRO 171 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1qwm h PRO 171 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1qwm h PRO 171 CO 0.68 0.00 0.14 1.05 -0.23 0.00 0.00 178.00 179.64 1qwm h GLU 172 N 0.00 0.00 0.00 0.86 9.09 -1.88 -2.04 114.58 120.61 1qwm h GLU 172 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1qwm h GLU 172 Cb 0.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 1qwm h GLU 172 CO 0.00 0.00 0.00 -1.13 0.05 0.00 0.00 179.01 177.93 1qwm n SER 173 N -2.97 0.00 -0.32 3.06 3.41 -0.24 -4.07 113.62 112.48 1qwm n SER 173 Ca -0.03 0.49 -0.02 0.00 -0.26 0.00 0.00 58.87 59.06 1qwm n SER 173 Cb 0.20 -0.49 0.14 0.00 -0.26 0.00 0.00 64.21 63.79 1qwm n SER 173 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1qwm h LEU 174 N 0.00 1.07 0.22 1.04 5.85 -1.59 -0.67 115.31 121.24 1qwm h LEU 174 Ca 0.00 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 1qwm h LEU 174 Cb 0.13 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1qwm h LEU 174 CO 0.00 0.81 -0.12 0.22 -0.34 0.00 0.00 178.44 179.01 1qwm h TYR 175 N 1.25 -0.31 -0.08 1.25 5.03 -1.83 0.09 116.97 122.36 1qwm h TYR 175 Ca 0.33 -0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.53 1qwm h TYR 175 Cb -0.09 0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.29 1qwm h TYR 175 CO 0.00 -0.19 -0.42 0.37 -1.32 0.00 0.00 178.16 176.60 1qwm h GLN 176 N -0.32 0.18 -0.42 1.82 5.75 -1.69 0.61 115.11 121.03 1qwm h GLN 176 Ca -0.03 -0.08 0.02 0.00 -0.15 0.00 0.00 58.65 58.41 1qwm h GLN 176 Cb 0.26 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.78 1qwm h GLN 176 CO 0.04 0.57 0.24 0.28 -2.65 0.00 0.00 178.83 177.31 1qwm h VAL 177 N 0.15 1.03 -0.58 2.39 2.07 -0.92 -0.38 116.25 120.01 1qwm h VAL 177 Ca 0.01 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 1qwm h VAL 177 Cb 0.81 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.06 1qwm h VAL 177 CO 0.06 0.09 0.10 0.74 0.02 0.00 0.00 177.57 178.59 1qwm h THR 178 N 0.49 1.26 0.02 2.57 2.02 -0.03 -0.75 112.91 118.48 1qwm h THR 178 Ca 0.17 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 1qwm h THR 178 Cb 0.02 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 1qwm h THR 178 CO -0.08 0.35 -0.01 -0.25 0.37 0.00 0.00 175.52 175.90 1qwm h TRP 179 N 0.85 -0.02 0.00 3.16 2.91 -0.73 -1.75 115.95 120.38 1qwm h TRP 179 Ca 0.18 -0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 1qwm h TRP 179 Cb 0.40 0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1qwm h TRP 179 CO 0.03 0.16 -0.15 -0.24 -1.03 0.00 0.00 178.44 177.20 1qwm h VAL 180 N -0.20 0.37 -0.00 2.65 3.04 -0.89 -2.24 116.25 118.98 1qwm h VAL 180 Ca -0.00 -0.95 0.00 0.00 -1.01 0.00 0.00 66.70 64.74 1qwm h VAL 180 Cb 0.19 1.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.18 1qwm h VAL 180 CO 0.00 0.15 -0.36 0.23 -1.01 0.00 0.00 177.57 176.58 1qwm n MET 181 N -3.29 0.53 -0.28 4.17 2.81 -0.30 -3.59 117.12 117.18 1qwm n MET 181 Ca 0.00 -0.32 -0.02 0.00 -1.81 0.00 0.00 57.70 55.56 1qwm n MET 181 Cb 0.40 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.43 1qwm n MET 181 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 1qwm n SER 182 N -0.96 0.03 0.29 7.83 3.41 -0.67 -4.42 113.62 119.13 1qwm n SER 182 Ca 0.10 -1.04 0.16 0.00 -0.26 0.00 0.00 58.87 57.82 1qwm n SER 182 Cb 0.35 -0.06 0.86 0.00 -0.26 0.00 0.00 64.21 65.09 1qwm n SER 182 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qwm h ASP 183 N -0.10 0.00 0.07 4.04 3.32 -1.88 -2.08 116.42 119.79 1qwm h ASP 183 Ca -0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.02 1qwm h ASP 183 Cb 0.08 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 1qwm h ASP 183 CO 0.02 0.06 -0.00 0.03 -1.72 0.00 0.00 179.24 177.63 1qwm h ARG 184 N 0.00 0.00 0.00 3.56 2.47 -1.89 -3.19 114.38 115.33 1qwm h ARG 184 Ca -0.00 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.66 1qwm h ARG 184 Cb 0.21 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.52 1qwm h ARG 184 CO 0.01 0.00 -0.27 0.78 0.56 0.00 0.00 179.97 181.05 1qwm h GLY 185 N 0.14 0.00 -7.11 0.04 0.00 -1.43 -3.36 103.07 91.35 1qwm h GLY 185 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1qwm h GLY 185 CO 0.00 0.00 -0.75 -0.42 0.00 0.00 0.00 176.54 175.37 1qwm s ILE 186 N -4.31 1.22 0.68 2.60 1.01 -1.21 -2.42 121.20 118.78 1qwm s ILE 186 Ca -0.03 -2.03 -0.16 0.00 0.00 0.00 0.00 60.65 58.44 1qwm s ILE 186 Cb 0.14 -1.89 0.01 0.00 0.01 0.00 0.00 42.46 40.74 1qwm s ILE 186 CO 0.69 -0.78 1.16 -2.16 0.00 0.00 0.00 174.94 173.85 1qwm s PRO 187 N 0.95 2.55 0.34 2.79 0.04 -1.26 -0.71 135.00 139.70 1qwm s PRO 187 Ca 0.14 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.80 1qwm s PRO 187 Cb -0.21 -1.90 0.62 0.00 0.04 0.00 0.00 34.50 33.05 1qwm s PRO 187 CO -0.11 -1.49 1.99 -0.22 0.04 0.00 0.00 177.00 177.21 1qwm h LYS 188 N 0.02 0.86 -2.48 4.56 3.64 -1.12 -3.39 116.57 118.67 1qwm h LYS 188 Ca -0.48 -0.05 0.15 0.00 -1.27 0.00 0.00 60.65 59.01 1qwm h LYS 188 Cb 1.27 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 1qwm h LYS 188 CO 0.52 0.57 0.50 -1.54 -2.27 0.00 0.00 179.45 177.23 1qwm s SER 189 N -6.36 -0.10 0.61 4.20 1.04 -1.26 -4.96 113.70 106.87 1qwm s SER 189 Ca -0.10 -0.57 0.38 0.00 0.48 0.00 0.00 55.95 56.13 1qwm s SER 189 Cb 0.18 0.53 1.98 0.00 0.10 0.00 0.00 66.02 68.81 1qwm s SER 189 CO 0.77 -1.02 2.23 -0.26 0.98 0.00 0.00 173.24 175.95 1qwm h PHE 190 N 2.00 0.00 -0.00 5.02 0.05 -1.90 -2.32 116.94 119.80 1qwm h PHE 190 Ca -0.26 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.53 1qwm h PHE 190 Cb 1.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.18 1qwm h PHE 190 CO 0.82 0.02 -0.09 0.54 -0.18 0.00 0.00 178.31 179.42 1qwm n ARG 191 N -3.29 0.06 -0.84 1.51 1.74 -1.26 -3.79 116.66 110.79 1qwm n ARG 191 Ca -0.02 -0.01 -0.04 0.00 -0.77 0.00 0.00 57.85 57.01 1qwm n ARG 191 Cb 0.15 -1.50 0.19 0.00 -1.02 0.00 0.00 32.46 30.28 1qwm n ARG 191 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1qwm n HIS 192 N -1.46 0.96 -4.12 -1.55 8.25 -0.87 -4.41 115.22 112.02 1qwm n HIS 192 Ca 0.08 -1.65 -0.12 0.00 -0.26 0.00 0.00 57.72 55.76 1qwm n HIS 192 Cb 0.33 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 30.88 1qwm n HIS 192 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1qwm s MET 193 N -3.28 0.69 0.65 -0.41 0.23 -1.25 -2.37 119.30 113.55 1qwm s MET 193 Ca 0.44 -1.02 -0.03 0.00 -1.03 0.00 0.00 55.69 54.05 1qwm s MET 193 Cb 0.40 -0.31 0.06 0.00 -1.53 0.00 0.00 34.83 33.45 1qwm s MET 193 CO -0.02 0.03 0.92 -0.51 -2.03 0.00 0.00 175.02 173.41 1qwm s ASP 194 N -2.22 4.92 0.07 -1.18 1.01 -1.26 -4.32 116.67 113.69 1qwm s ASP 194 Ca -0.00 0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.47 1qwm s ASP 194 Cb -0.04 -0.88 -0.03 0.00 1.01 0.00 0.00 42.92 42.99 1qwm s ASP 194 CO -0.01 -1.46 -0.12 -0.83 0.21 0.00 0.00 175.17 172.95 1qwm s GLY 195 N -4.51 0.78 -0.01 0.21 0.00 -0.24 -4.21 107.32 99.33 1qwm s GLY 195 Ca 0.60 -0.95 -0.05 0.00 0.00 0.00 0.00 44.72 44.32 1qwm s GLY 195 CO 0.42 -0.99 0.11 -1.36 0.00 0.00 0.00 173.10 171.28 1qwm s PHE 196 N -1.35 0.02 0.38 1.90 0.40 0.15 0.62 117.98 120.10 1qwm s PHE 196 Ca -0.04 -0.05 0.29 0.00 -0.60 0.00 0.00 56.93 56.53 1qwm s PHE 196 Cb -0.10 -0.04 1.47 0.00 0.51 0.00 0.00 43.02 44.86 1qwm s PHE 196 CO 0.02 -0.20 2.06 0.78 0.70 0.00 0.00 175.22 178.58 1qwm h GLY 197 N 4.85 0.00 0.00 4.36 0.00 -1.63 -2.32 103.07 108.33 1qwm h GLY 197 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1qwm h GLY 197 CO 0.41 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.39 1qwm n SER 198 N -3.54 0.00 -4.76 0.19 7.64 -1.26 -4.80 113.62 107.09 1qwm n SER 198 Ca -0.02 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.52 1qwm n SER 198 Cb 0.25 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.47 1qwm n SER 198 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1qwm s HIS 199 N 0.00 2.55 0.14 1.43 3.76 -1.26 -4.82 115.29 117.09 1qwm s HIS 199 Ca 0.00 1.54 -0.31 0.00 -0.15 0.00 0.00 55.06 56.14 1qwm s HIS 199 Cb 0.00 -3.31 -0.10 0.00 1.11 0.00 0.00 32.58 30.28 1qwm s HIS 199 CO 0.00 -1.81 1.68 0.99 -0.85 0.00 0.00 174.74 174.75 1qwm s THR 200 N -1.90 2.56 0.04 1.30 2.01 -1.26 -4.66 115.64 113.74 1qwm s THR 200 Ca 0.72 0.27 0.00 0.00 0.31 0.00 0.00 61.69 62.99 1qwm s THR 200 Cb -0.25 -3.17 0.00 0.00 0.01 0.00 0.00 72.50 69.09 1qwm s THR 200 CO 0.33 0.01 0.02 0.49 -0.69 0.00 0.00 174.62 174.78 1qwm n PHE 201 N 4.72 -0.83 -4.23 4.92 3.72 -0.16 -4.23 117.46 121.38 1qwm n PHE 201 Ca 0.16 -0.20 -0.21 0.00 -0.05 0.00 0.00 57.45 57.15 1qwm n PHE 201 Cb 0.38 -0.03 -0.12 0.00 -0.94 0.00 0.00 39.48 38.77 1qwm n PHE 201 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1qwm s SER 202 N -1.26 2.07 0.03 4.37 1.04 -0.58 -1.33 113.70 118.05 1qwm s SER 202 Ca 0.02 -0.66 0.06 0.00 0.48 0.00 0.00 55.95 55.84 1qwm s SER 202 Cb -0.00 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1qwm s SER 202 CO 0.01 -0.03 -0.15 -0.76 0.98 0.00 0.00 173.24 173.29 1qwm s LEU 203 N -1.87 2.74 -0.08 2.42 1.43 0.41 -0.13 118.68 123.59 1qwm s LEU 203 Ca 0.03 -0.35 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1qwm s LEU 203 Cb -0.10 -1.59 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1qwm s LEU 203 CO 0.03 0.27 -0.11 -0.63 0.23 0.00 0.00 176.35 176.14 1qwm s ILE 204 N -0.93 1.10 0.64 -0.59 -1.09 -0.59 -1.14 121.20 118.60 1qwm s ILE 204 Ca 0.15 -0.42 0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1qwm s ILE 204 Cb -0.11 -1.03 0.12 0.00 -1.58 0.00 0.00 42.46 39.86 1qwm s ILE 204 CO 0.06 0.36 0.88 -0.46 -1.23 0.00 0.00 174.94 174.54 1qwm n ASN 205 N 4.16 1.71 0.30 3.58 0.23 -0.92 -1.38 115.26 122.94 1qwm n ASN 205 Ca -0.20 -2.32 0.19 0.00 -0.53 0.00 0.00 54.58 51.72 1qwm n ASN 205 Cb 0.51 -0.52 0.95 0.00 -2.08 0.00 0.00 39.78 38.64 1qwm n ASN 205 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qwm h ALA 206 N -0.23 1.05 0.00 -2.53 0.00 -1.88 -1.30 119.26 114.36 1qwm h ALA 206 Ca -0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1qwm h ALA 206 Cb 1.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1qwm h ALA 206 CO 0.36 0.02 -0.21 1.63 0.00 0.00 0.00 179.25 181.06 1qwm n LYS 207 N -3.18 0.02 -0.86 0.00 5.02 -1.26 -4.94 118.16 112.96 1qwm n LYS 207 Ca -0.01 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1qwm n LYS 207 Cb 0.18 -1.52 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 1qwm n LYS 207 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1qwm n GLY 208 N 1.49 0.50 3.80 0.72 0.00 -0.49 -5.06 105.19 106.14 1qwm n GLY 208 Ca 0.06 -0.67 -0.36 0.00 0.00 0.00 0.00 46.02 45.05 1qwm n GLY 208 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qwm s GLU 209 N -1.26 4.41 -0.04 1.61 2.02 -1.26 -4.83 118.70 119.35 1qwm s GLU 209 Ca 0.00 1.10 0.01 0.00 0.02 0.00 0.00 54.97 56.10 1qwm s GLU 209 Cb 0.00 -2.82 -0.03 0.00 0.10 0.00 0.00 34.13 31.38 1qwm s GLU 209 CO 0.00 0.32 -0.03 0.50 0.02 0.00 0.00 175.26 176.08 1qwm s ARG 210 N -2.06 2.80 0.01 1.61 3.52 -1.26 -2.17 118.95 121.40 1qwm s ARG 210 Ca 0.47 -0.55 0.01 0.00 -0.13 0.00 0.00 55.73 55.53 1qwm s ARG 210 Cb -0.17 -2.66 -0.01 0.00 -1.56 0.00 0.00 34.95 30.55 1qwm s ARG 210 CO 0.22 0.66 -0.04 -0.06 -0.81 0.00 0.00 175.30 175.27 1qwm s PHE 211 N -0.94 0.35 0.15 5.12 0.40 -0.29 -4.09 117.98 118.68 1qwm s PHE 211 Ca 0.15 -0.16 -0.24 0.00 -0.60 0.00 0.00 56.93 56.08 1qwm s PHE 211 Cb -0.11 -0.22 -0.08 0.00 0.51 0.00 0.00 43.02 43.12 1qwm s PHE 211 CO 0.05 -0.03 0.73 -1.58 0.70 0.00 0.00 175.22 175.09 1qwm s TRP 212 N -0.38 3.89 0.02 0.36 0.23 -0.03 -0.45 118.94 122.58 1qwm s TRP 212 Ca -0.02 1.56 0.02 0.00 -2.03 0.00 0.00 56.10 55.63 1qwm s TRP 212 Cb -0.03 -2.71 -0.02 0.00 0.03 0.00 0.00 33.47 30.74 1qwm s TRP 212 CO -0.00 0.53 -0.08 0.54 0.96 0.00 0.00 176.95 178.90 1qwm s VAL 213 N -1.13 0.59 -0.04 4.03 0.11 -0.44 -0.65 120.40 122.87 1qwm s VAL 213 Ca 0.34 -0.75 0.07 0.00 -2.93 0.00 0.00 61.98 58.71 1qwm s VAL 213 Cb -0.22 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.04 1qwm s VAL 213 CO 0.25 -0.13 -0.24 -0.54 -3.33 0.00 0.00 175.10 171.10 1qwm s LYS 214 N -0.96 2.27 -0.17 1.54 -0.14 -0.41 -0.98 119.74 120.88 1qwm s LYS 214 Ca -0.04 -0.87 -0.07 0.00 -1.36 0.00 0.00 55.97 53.63 1qwm s LYS 214 Cb -0.07 -2.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.03 1qwm s LYS 214 CO 0.00 0.43 0.08 -0.06 -0.76 0.00 0.00 175.35 175.04 1qwm s PHE 215 N -0.30 3.34 -0.06 3.18 0.08 -1.26 -1.50 117.98 121.45 1qwm s PHE 215 Ca 0.01 0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.31 1qwm s PHE 215 Cb -0.12 -2.05 0.01 0.00 -0.57 0.00 0.00 43.02 40.29 1qwm s PHE 215 CO 0.02 0.31 -0.14 -1.01 -0.10 0.00 0.00 175.22 174.30 1qwm s HIS 216 N 0.01 1.57 -0.23 0.36 3.76 0.23 -1.72 115.29 119.27 1qwm s HIS 216 Ca 0.07 -0.54 0.02 0.00 -0.15 0.00 0.00 55.06 54.46 1qwm s HIS 216 Cb -0.12 -1.11 0.04 0.00 1.11 0.00 0.00 32.58 32.51 1qwm s HIS 216 CO 0.00 -0.24 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.46 1qwm s PHE 217 N 0.42 3.08 -0.22 1.40 0.40 0.20 -1.14 117.98 122.13 1qwm s PHE 217 Ca -0.11 -2.00 -0.09 0.00 -0.60 0.00 0.00 56.93 54.13 1qwm s PHE 217 Cb -0.14 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1qwm s PHE 217 CO 0.03 -0.84 0.10 -1.01 0.70 0.00 0.00 175.22 174.21 1qwm s HIS 218 N 1.19 3.24 0.20 0.36 3.76 0.05 -1.08 115.29 123.02 1qwm s HIS 218 Ca -0.03 0.03 -0.30 0.00 -0.15 0.00 0.00 55.06 54.61 1qwm s HIS 218 Cb -0.17 -2.18 -0.09 0.00 1.11 0.00 0.00 32.58 31.24 1qwm s HIS 218 CO -0.08 0.02 1.37 -0.08 -0.85 0.00 0.00 174.74 175.12 1qwm s THR 219 N 0.88 3.02 -2.22 1.30 -1.32 -1.26 -0.63 115.64 115.41 1qwm s THR 219 Ca 0.05 0.83 0.29 0.00 -1.21 0.00 0.00 61.69 61.65 1qwm s THR 219 Cb -0.13 -3.53 0.60 0.00 -1.51 0.00 0.00 72.50 67.93 1qwm s THR 219 CO 0.03 0.12 1.86 0.23 -2.21 0.00 0.00 174.62 174.64 1qwm n MET 220 N 2.72 1.32 0.00 7.08 2.81 -0.23 -3.41 117.12 127.41 1qwm n MET 220 Ca 0.07 -0.61 0.11 0.00 -1.81 0.00 0.00 57.70 55.47 1qwm n MET 220 Cb 0.42 -1.49 0.12 0.00 -0.71 0.00 0.00 33.22 31.56 1qwm n MET 220 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1qwm n GLN 221 N -0.31 0.51 0.00 0.03 3.00 -1.26 -4.98 117.38 114.36 1qwm n GLN 221 Ca 0.19 -0.37 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 1qwm n GLN 221 Cb 0.29 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 29.03 1qwm n GLN 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qwm n GLY 222 N 1.44 0.07 3.63 1.08 0.00 -1.22 -4.94 105.19 105.26 1qwm n GLY 222 Ca 0.08 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 1qwm n GLY 222 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qwm s VAL 223 N -1.67 3.93 0.02 1.61 1.01 -1.26 -4.38 120.40 119.66 1qwm s VAL 223 Ca 0.00 1.06 0.02 0.00 0.00 0.00 0.00 61.98 63.06 1qwm s VAL 223 Cb 0.00 -3.90 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 1qwm s VAL 223 CO 0.00 -0.34 -0.07 -0.54 0.00 0.00 0.00 175.10 174.15 1qwm s LYS 224 N 4.33 0.48 0.23 2.72 1.02 -1.00 -5.05 119.74 122.47 1qwm s LYS 224 Ca 0.64 -0.53 0.07 0.00 0.02 0.00 0.00 55.97 56.16 1qwm s LYS 224 Cb -0.22 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.71 1qwm s LYS 224 CO 0.25 0.07 -0.10 -3.38 -0.92 0.00 0.00 175.35 171.28 1qwm s HIS 225 N -0.89 1.75 -0.08 3.18 -3.43 -1.26 -0.64 115.29 113.93 1qwm s HIS 225 Ca -0.05 -0.67 -0.03 0.00 -0.80 0.00 0.00 55.06 53.51 1qwm s HIS 225 Cb -0.07 -0.91 -0.04 0.00 -1.43 0.00 0.00 32.58 30.13 1qwm s HIS 225 CO 0.00 0.27 0.04 -0.51 -2.00 0.00 0.00 174.74 172.55 1qwm s LEU 226 N -3.35 3.81 0.80 5.38 1.43 0.11 -4.54 118.68 122.32 1qwm s LEU 226 Ca 0.25 0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1qwm s LEU 226 Cb 0.02 -1.95 0.07 0.00 0.03 0.00 0.00 46.19 44.36 1qwm s LEU 226 CO 0.08 0.37 1.10 0.42 0.23 0.00 0.00 176.35 178.55 1qwm s THR 227 N -0.97 3.04 0.26 5.49 -4.23 -1.26 -4.60 115.64 113.36 1qwm s THR 227 Ca 0.15 0.34 -0.02 0.00 -1.18 0.00 0.00 61.69 60.98 1qwm s THR 227 Cb -0.12 -3.06 0.24 0.00 1.34 0.00 0.00 72.50 70.90 1qwm s THR 227 CO 0.05 -0.44 1.74 0.78 -0.54 0.00 0.00 174.62 176.21 1qwm h ASN 228 N -1.12 0.41 -0.37 3.99 2.35 -1.99 -0.66 115.58 118.19 1qwm h ASN 228 Ca -0.47 0.10 -0.12 0.00 -0.55 0.00 0.00 56.30 55.27 1qwm h ASN 228 Cb 1.27 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.68 1qwm h ASN 228 CO 0.59 0.15 -0.22 -0.33 -1.65 0.00 0.00 177.43 175.97 1qwm h GLU 229 N 0.53 0.80 -0.57 0.81 3.07 -2.00 -2.26 114.58 114.97 1qwm h GLU 229 Ca 0.45 -0.37 -0.08 0.00 -0.50 0.00 0.00 59.36 58.86 1qwm h GLU 229 Cb 0.68 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.56 1qwm h GLU 229 CO -0.40 1.00 0.04 0.93 -1.40 0.00 0.00 179.01 179.19 1qwm h GLU 230 N 0.59 0.97 -0.41 2.33 5.08 -1.82 -2.48 114.58 118.85 1qwm h GLU 230 Ca 0.08 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1qwm h GLU 230 Cb 0.78 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1qwm h GLU 230 CO 0.06 0.95 0.19 0.00 -1.00 0.00 0.00 179.01 179.22 1qwm h ALA 231 N 0.98 0.53 -0.91 3.43 0.00 -1.10 -2.31 119.26 119.88 1qwm h ALA 231 Ca 0.17 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1qwm h ALA 231 Cb 0.48 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1qwm h ALA 231 CO 0.02 0.10 0.60 0.00 0.00 0.00 0.00 179.25 179.96 1qwm h ALA 232 N 1.04 1.42 -0.77 0.00 0.00 -1.29 -1.16 119.26 118.51 1qwm h ALA 232 Ca 0.14 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1qwm h ALA 232 Cb 0.13 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1qwm h ALA 232 CO -0.02 0.49 0.28 0.93 0.00 0.00 0.00 179.25 180.93 1qwm h GLU 233 N 1.14 1.17 -0.31 0.00 4.39 -1.23 -2.68 114.58 117.05 1qwm h GLU 233 Ca 0.36 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1qwm h GLU 233 Cb 0.02 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1qwm h GLU 233 CO -0.11 0.97 0.02 0.82 -1.16 0.00 0.00 179.01 179.54 1qwm h ILE 234 N 1.13 1.25 -0.97 3.13 2.04 -0.85 -3.18 117.51 120.07 1qwm h ILE 234 Ca 0.25 -0.91 0.09 0.00 1.00 0.00 0.00 64.86 65.29 1qwm h ILE 234 Cb 0.26 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 1qwm h ILE 234 CO -0.02 0.30 0.62 0.03 0.00 0.00 0.00 178.15 179.08 1qwm h ARG 235 N 0.35 1.00 0.00 2.37 3.08 -1.09 0.11 114.38 120.20 1qwm h ARG 235 Ca 0.09 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1qwm h ARG 235 Cb 0.41 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1qwm h ARG 235 CO 0.01 0.66 -0.08 1.57 -1.07 0.00 0.00 179.97 181.07 1qwm h LYS 236 N 1.03 0.00 0.00 0.04 2.10 -1.45 -3.17 116.57 115.12 1qwm h LYS 236 Ca 0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1qwm h LYS 236 Cb 0.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.66 1qwm h LYS 236 CO -0.20 0.08 0.00 0.72 -2.00 0.00 0.00 179.45 178.05 1qwm n HIS 237 N -3.37 0.00 -3.34 0.07 8.25 -0.91 -4.97 115.22 110.95 1qwm n HIS 237 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1qwm n HIS 237 Cb 0.25 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.29 1qwm n HIS 237 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 1qwm s ASP 238 N -0.95 0.80 0.00 0.41 2.15 -0.02 -4.97 116.67 114.09 1qwm s ASP 238 Ca 0.00 -1.34 0.11 0.00 0.43 0.00 0.00 52.55 51.75 1qwm s ASP 238 Cb 0.00 0.77 0.56 0.00 -0.30 0.00 0.00 42.92 43.95 1qwm s ASP 238 CO 0.00 -0.26 1.28 -0.81 -0.17 0.00 0.00 175.17 175.21 1qwm n PRO 239 N 4.41 0.13 -0.85 4.34 -0.04 -1.25 -3.10 135.00 138.64 1qwm n PRO 239 Ca 0.10 0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.72 1qwm n PRO 239 Cb 0.47 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.62 1qwm n PRO 239 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qwm n ASP 240 N -1.33 2.51 -0.03 3.54 8.00 -1.26 -0.58 116.55 127.40 1qwm n ASP 240 Ca 0.05 -3.82 0.08 0.00 0.71 0.00 0.00 54.79 51.80 1qwm n ASP 240 Cb 0.10 -0.61 0.46 0.00 -0.02 0.00 0.00 41.12 41.05 1qwm n ASP 240 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1qwm h SER 241 N 1.08 0.41 0.74 -2.24 4.64 -1.94 -1.21 113.55 115.04 1qwm h SER 241 Ca 0.19 -0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.30 1qwm h SER 241 Cb 1.51 -0.09 -0.04 0.00 -0.31 0.00 0.00 62.40 63.47 1qwm h SER 241 CO 0.35 0.28 -1.38 0.78 -0.87 0.00 0.00 176.83 175.99 1qwm h ASN 242 N 0.48 0.00 -0.09 4.97 2.35 -1.91 -1.86 115.58 119.52 1qwm h ASN 242 Ca 0.21 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.95 1qwm h ASN 242 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1qwm h ASN 242 CO -0.05 0.79 0.04 -0.61 -1.65 0.00 0.00 177.43 175.95 1qwm h GLN 243 N 0.00 0.14 -0.41 0.81 5.75 -1.87 -1.57 115.11 117.95 1qwm h GLN 243 Ca -0.17 -0.02 0.03 0.00 -0.15 0.00 0.00 58.65 58.34 1qwm h GLN 243 Cb 1.75 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 30.24 1qwm h GLN 243 CO 0.07 0.23 0.20 -0.09 -2.65 0.00 0.00 178.83 176.59 1qwm h ARG 244 N 0.01 0.39 -0.38 1.69 2.43 -1.25 -1.50 114.38 115.77 1qwm h ARG 244 Ca 0.03 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1qwm h ARG 244 Cb 0.14 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 1qwm h ARG 244 CO -0.00 0.26 0.22 0.22 -1.51 0.00 0.00 179.97 179.16 1qwm h ASP 245 N 0.40 0.46 -0.12 -3.80 3.58 -1.24 -0.89 116.42 114.81 1qwm h ASP 245 Ca 0.18 -0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.52 1qwm h ASP 245 Cb 0.09 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.03 1qwm h ASP 245 CO -0.13 0.39 -0.11 0.25 -2.88 0.00 0.00 179.24 176.76 1qwm h LEU 246 N 0.49 0.30 -0.50 2.28 5.85 -1.17 -0.40 115.31 122.17 1qwm h LEU 246 Ca 0.14 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1qwm h LEU 246 Cb 0.02 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1qwm h LEU 246 CO -0.02 0.71 0.32 0.15 -0.34 0.00 0.00 178.44 179.26 1qwm h PHE 247 N -0.11 0.61 -0.49 1.25 3.04 -1.24 -2.18 116.94 117.82 1qwm h PHE 247 Ca 0.02 0.02 -0.09 0.00 3.98 0.00 0.00 57.97 61.90 1qwm h PHE 247 Cb 0.63 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1qwm h PHE 247 CO 0.08 0.38 -0.03 -0.44 -2.02 0.00 0.00 178.31 176.28 1qwm h ASP 248 N 0.65 0.87 -0.46 0.41 3.32 -1.09 -0.88 116.42 119.24 1qwm h ASP 248 Ca 0.19 -0.32 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1qwm h ASP 248 Cb -0.06 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1qwm h ASP 248 CO -0.05 0.99 0.22 0.00 -1.72 0.00 0.00 179.24 178.68 1qwm h ALA 249 N 0.92 0.58 -0.40 3.45 0.00 -0.90 -2.00 119.26 120.91 1qwm h ALA 249 Ca 0.13 0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1qwm h ALA 249 Cb 0.56 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1qwm h ALA 249 CO 0.03 -0.14 -0.35 0.82 0.00 0.00 0.00 179.25 179.61 1qwm h ILE 250 N 0.44 1.27 -0.20 0.00 2.04 -1.21 -0.66 117.51 119.19 1qwm h ILE 250 Ca 0.20 -1.52 -0.00 0.00 1.00 0.00 0.00 64.86 64.55 1qwm h ILE 250 Cb 0.13 1.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 1qwm h ILE 250 CO -0.16 0.51 0.12 0.00 0.00 0.00 0.00 178.15 178.62 1qwm h ALA 251 N 0.84 1.84 -0.01 1.87 0.00 -0.94 -2.05 119.26 120.80 1qwm h ALA 251 Ca 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1qwm h ALA 251 Cb 0.93 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1qwm h ALA 251 CO 0.09 0.15 -0.09 2.89 0.00 0.00 0.00 179.25 182.28 1qwm n ARG 252 N -4.49 1.49 -0.51 0.00 1.85 -0.77 -4.95 116.66 109.28 1qwm n ARG 252 Ca -0.00 -0.94 0.00 0.00 -1.00 0.00 0.00 57.85 55.90 1qwm n ARG 252 Cb 0.09 -1.48 0.00 0.00 -1.05 0.00 0.00 32.46 30.02 1qwm n ARG 252 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1qwm n GLY 253 N 1.25 0.75 2.99 2.89 0.00 -0.77 -4.98 105.19 107.32 1qwm n GLY 253 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1qwm n GLY 253 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qwm n ASP 254 N 0.00 5.37 -4.66 1.61 2.03 -0.28 -5.00 116.55 115.62 1qwm n ASP 254 Ca 0.00 -3.15 -0.43 0.00 0.52 0.00 0.00 54.79 51.74 1qwm n ASP 254 Cb 0.00 -1.45 -0.02 0.00 -0.72 0.00 0.00 41.12 38.93 1qwm n ASP 254 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1qwm s TYR 255 N -0.10 2.88 0.37 -0.67 4.12 -1.26 -4.35 117.35 118.34 1qwm s TYR 255 Ca 0.38 1.03 -0.26 0.00 0.02 0.00 0.00 57.07 58.23 1qwm s TYR 255 Cb 0.06 -3.50 -0.09 0.00 -1.52 0.00 0.00 41.96 36.92 1qwm s TYR 255 CO 0.02 -1.66 1.16 -1.25 0.02 0.00 0.00 175.55 173.83 1qwm s PRO 256 N 3.38 4.23 0.12 -1.71 0.04 -1.24 -4.80 135.00 135.01 1qwm s PRO 256 Ca 0.55 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.48 1qwm s PRO 256 Cb -0.22 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1qwm s PRO 256 CO 0.15 -0.17 -0.14 0.15 0.04 0.00 0.00 177.00 177.04 1qwm s LYS 257 N -2.07 0.99 0.02 4.56 1.02 -1.26 -1.34 119.74 121.66 1qwm s LYS 257 Ca 0.53 -1.21 0.01 0.00 0.02 0.00 0.00 55.97 55.32 1qwm s LYS 257 Cb -0.31 -0.86 -0.01 0.00 -0.52 0.00 0.00 37.83 36.13 1qwm s LYS 257 CO 0.40 0.16 -0.05 -1.58 -0.92 0.00 0.00 175.35 173.36 1qwm s TRP 258 N -2.13 0.46 -0.25 3.18 0.51 -0.24 -1.07 118.94 119.41 1qwm s TRP 258 Ca 0.08 -0.27 -0.13 0.00 -2.12 0.00 0.00 56.10 53.67 1qwm s TRP 258 Cb -0.05 -0.29 -0.04 0.00 -0.81 0.00 0.00 33.47 32.28 1qwm s TRP 258 CO 0.03 -0.05 0.26 0.21 -0.51 0.00 0.00 176.95 176.89 1qwm s LYS 259 N -0.75 4.06 -0.14 4.98 2.20 0.19 -0.76 119.74 129.51 1qwm s LYS 259 Ca -0.04 -0.11 -0.26 0.00 -0.36 0.00 0.00 55.97 55.20 1qwm s LYS 259 Cb -0.05 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 1qwm s LYS 259 CO -0.00 -0.08 0.85 -1.17 -0.36 0.00 0.00 175.35 174.59 1qwm s LEU 260 N 1.46 4.21 0.10 5.43 2.96 0.13 -0.77 118.68 132.20 1qwm s LEU 260 Ca 0.12 1.24 0.06 0.00 -0.22 0.00 0.00 54.13 55.33 1qwm s LEU 260 Cb -0.15 -3.27 -0.03 0.00 0.50 0.00 0.00 46.19 43.24 1qwm s LEU 260 CO 0.08 -0.37 -0.15 -0.44 -1.32 0.00 0.00 176.35 174.15 1qwm s SER 261 N 1.10 1.96 0.14 3.68 0.01 -0.29 -0.10 113.70 120.20 1qwm s SER 261 Ca 0.40 -0.72 0.10 0.00 1.31 0.00 0.00 55.95 57.04 1qwm s SER 261 Cb -0.17 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 1qwm s SER 261 CO 0.14 -0.09 -0.23 0.27 0.41 0.00 0.00 173.24 173.75 1qwm s ILE 262 N -1.68 2.02 -0.11 1.44 -4.36 0.67 -0.60 121.20 118.57 1qwm s ILE 262 Ca 0.05 -1.77 -0.05 0.00 -0.26 0.00 0.00 60.65 58.61 1qwm s ILE 262 Cb -0.07 -1.85 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 1qwm s ILE 262 CO 0.03 -0.07 0.08 -1.10 0.24 0.00 0.00 174.94 174.12 1qwm s GLN 263 N -2.26 3.32 -0.16 0.37 -0.21 -0.56 -0.45 119.66 119.71 1qwm s GLN 263 Ca 0.13 -0.25 0.01 0.00 0.02 0.00 0.00 55.36 55.27 1qwm s GLN 263 Cb -0.09 -3.05 0.02 0.00 1.00 0.00 0.00 33.01 30.90 1qwm s GLN 263 CO 0.06 0.71 -0.17 0.08 -2.12 0.00 0.00 175.29 173.85 1qwm s VAL 264 N -0.85 1.83 -0.21 1.09 1.01 -1.26 -1.29 120.40 120.71 1qwm s VAL 264 Ca 0.13 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1qwm s VAL 264 Cb -0.12 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1qwm s VAL 264 CO 0.03 0.50 0.02 -0.32 0.00 0.00 0.00 175.10 175.33 1qwm s MET 265 N 1.35 3.63 0.58 2.72 0.00 0.18 -4.97 119.30 122.78 1qwm s MET 265 Ca 0.04 -0.51 -0.20 0.00 0.00 0.00 0.00 55.69 55.03 1qwm s MET 265 Cb -0.13 -3.14 -0.04 0.00 0.00 0.00 0.00 34.83 31.52 1qwm s MET 265 CO -0.11 -0.04 1.24 -2.14 0.00 0.00 0.00 175.02 173.97 1qwm s PRO 266 N 1.16 3.04 0.34 4.11 0.02 -1.26 -0.85 135.00 141.55 1qwm s PRO 266 Ca 0.03 1.92 0.10 0.00 0.02 0.00 0.00 61.00 63.08 1qwm s PRO 266 Cb -0.14 -2.03 0.88 0.00 0.02 0.00 0.00 34.50 33.22 1qwm s PRO 266 CO 0.02 -1.18 1.77 0.93 -0.33 0.00 0.00 177.00 178.22 1qwm h GLU 267 N 1.08 0.60 0.00 5.54 5.08 -1.95 -0.69 114.58 124.23 1qwm h GLU 267 Ca -0.50 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1qwm h GLU 267 Cb 1.30 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1qwm h GLU 267 CO 0.56 0.40 0.00 -0.85 -1.00 0.00 0.00 179.01 178.11 1qwm n GLU 268 N -4.74 0.03 0.05 2.33 0.00 -1.26 -2.84 120.64 114.21 1qwm n GLU 268 Ca 0.24 0.30 0.04 0.00 0.00 0.00 0.00 57.16 57.74 1qwm n GLU 268 Cb 0.68 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.56 1qwm n GLU 268 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1qwm n ASP 269 N -1.46 0.81 0.25 -1.84 9.92 -0.27 -4.33 116.55 119.63 1qwm n ASP 269 Ca 0.03 0.34 0.08 0.00 -0.53 0.00 0.00 54.79 54.71 1qwm n ASP 269 Cb 0.11 0.33 0.63 0.00 -0.64 0.00 0.00 41.12 41.56 1qwm n ASP 269 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1qwm h ALA 270 N 1.63 1.77 -0.15 2.24 0.00 -1.64 -1.42 119.26 121.69 1qwm h ALA 270 Ca -0.11 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1qwm h ALA 270 Cb 1.38 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 1qwm h ALA 270 CO 0.03 0.09 -0.29 -0.22 0.00 0.00 0.00 179.25 178.87 1qwm h LYS 271 N 0.00 0.28 0.00 0.00 3.64 -1.71 -3.35 116.57 115.42 1qwm h LYS 271 Ca -0.00 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1qwm h LYS 271 Cb 0.14 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1qwm h LYS 271 CO 0.01 0.55 0.00 1.63 -2.27 0.00 0.00 179.45 179.37 1qwm n LYS 272 N -4.12 -0.30 -1.63 1.90 5.02 -1.01 -4.94 118.16 113.08 1qwm n LYS 272 Ca -0.01 -0.40 -0.44 0.00 -2.02 0.00 0.00 58.31 55.44 1qwm n LYS 272 Cb 0.39 -0.80 -0.01 0.00 -0.02 0.00 0.00 35.03 34.59 1qwm n LYS 272 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1qwm n TYR 273 N -0.04 1.62 0.33 2.13 9.36 -0.57 -4.83 117.16 125.17 1qwm n TYR 273 Ca 0.00 0.65 0.15 0.00 3.32 0.00 0.00 57.90 62.02 1qwm n TYR 273 Cb 0.13 -2.31 0.63 0.00 -0.63 0.00 0.00 39.34 37.16 1qwm n TYR 273 CO 0.00 0.00 0.00 0.07 0.22 0.00 0.00 176.86 177.15 1qwm h ARG 274 N 2.20 0.00 -5.94 2.98 0.11 -1.95 -3.41 114.38 108.37 1qwm h ARG 274 Ca -0.42 0.00 -0.67 0.00 0.10 0.00 0.00 59.98 58.99 1qwm h ARG 274 Cb 1.32 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 32.20 1qwm h ARG 274 CO 0.61 0.00 -0.69 -0.06 0.10 0.00 0.00 179.97 179.93 1qwm s PHE 275 N -3.53 2.95 -0.35 4.08 0.40 -1.26 -5.06 117.98 115.22 1qwm s PHE 275 Ca 0.02 -0.06 -0.36 0.00 -0.60 0.00 0.00 56.93 55.92 1qwm s PHE 275 Cb 0.09 -1.76 -0.12 0.00 0.51 0.00 0.00 43.02 41.73 1qwm s PHE 275 CO 0.45 0.24 2.14 1.58 0.70 0.00 0.00 175.22 180.34 1qwm n HIS 276 N 2.52 1.62 0.46 0.36 -0.00 -1.26 -4.83 115.22 114.10 1qwm n HIS 276 Ca -0.18 0.32 0.12 0.00 -0.00 0.00 0.00 57.72 57.98 1qwm n HIS 276 Cb 0.53 -2.51 0.47 0.00 -0.00 0.00 0.00 29.99 28.47 1qwm n HIS 276 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 1qwm n PRO 277 N 7.90 0.20 -0.07 1.57 -0.02 -1.26 -3.06 135.00 140.26 1qwm n PRO 277 Ca 0.41 0.37 0.09 0.00 -2.02 0.00 0.00 63.50 62.34 1qwm n PRO 277 Cb 0.20 -1.84 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 1qwm n PRO 277 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1qwm n PHE 278 N -2.20 0.00 -3.53 6.00 3.72 -1.26 -4.68 117.46 115.51 1qwm n PHE 278 Ca 0.03 -0.93 -0.41 0.00 -0.05 0.00 0.00 57.45 56.09 1qwm n PHE 278 Cb 0.27 -0.14 -0.11 0.00 -0.94 0.00 0.00 39.48 38.57 1qwm n PHE 278 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qwm s ASP 279 N -2.64 5.95 0.00 4.37 3.68 -1.17 -4.20 116.67 122.66 1qwm s ASP 279 Ca 0.28 -0.74 0.25 0.00 2.13 0.00 0.00 52.55 54.46 1qwm s ASP 279 Cb 0.24 -2.11 1.49 0.00 -1.45 0.00 0.00 42.92 41.10 1qwm s ASP 279 CO 0.03 -0.35 1.87 0.55 0.13 0.00 0.00 175.17 177.40 1qwm n VAL 280 N 5.09 0.00 1.25 1.11 3.14 -1.26 -1.06 118.33 126.60 1qwm n VAL 280 Ca -0.12 0.00 0.09 0.00 -2.96 0.00 0.00 64.34 61.35 1qwm n VAL 280 Cb 0.48 -0.54 0.35 0.00 -1.06 0.00 0.00 33.84 33.06 1qwm n VAL 280 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1qwm n THR 281 N -0.96 0.23 -4.27 1.55 -2.24 -1.26 -0.99 114.28 106.34 1qwm n THR 281 Ca 0.19 -0.33 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 1qwm n THR 281 Cb 0.09 0.28 -0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1qwm n THR 281 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwm s LYS 282 N -1.77 1.11 0.48 -0.78 1.02 -0.23 -4.76 119.74 114.82 1qwm s LYS 282 Ca 0.30 -1.44 0.06 0.00 0.02 0.00 0.00 55.97 54.90 1qwm s LYS 282 Cb 0.16 -0.79 -0.01 0.00 -0.52 0.00 0.00 37.83 36.68 1qwm s LYS 282 CO 0.24 0.12 0.27 0.96 -0.92 0.00 0.00 175.35 176.02 1qwm s ILE 283 N -3.03 1.93 -0.17 2.17 -4.36 -1.26 -4.84 121.20 111.63 1qwm s ILE 283 Ca 0.17 -1.61 -0.15 0.00 -0.26 0.00 0.00 60.65 58.80 1qwm s ILE 283 Cb 0.00 -2.53 -0.04 0.00 1.25 0.00 0.00 42.46 41.14 1qwm s ILE 283 CO 0.02 0.00 0.35 0.26 0.24 0.00 0.00 174.94 175.81 1qwm s TRP 284 N -2.69 3.43 0.30 1.37 0.51 -1.26 -4.98 118.94 115.62 1qwm s TRP 284 Ca 0.34 0.62 -0.29 0.00 -2.12 0.00 0.00 56.10 54.65 1qwm s TRP 284 Cb 0.00 -2.43 -0.10 0.00 -0.81 0.00 0.00 33.47 30.13 1qwm s TRP 284 CO 0.20 0.13 1.26 0.71 -0.51 0.00 0.00 176.95 178.74 1qwm s TYR 285 N 0.83 3.19 0.33 -1.98 1.51 -1.26 -4.87 117.35 115.10 1qwm s TYR 285 Ca 0.18 1.46 0.24 0.00 -1.01 0.00 0.00 57.07 57.94 1qwm s TYR 285 Cb -0.14 -3.58 1.21 0.00 -0.11 0.00 0.00 41.96 39.34 1qwm s TYR 285 CO 0.06 -1.57 1.97 1.79 -1.11 0.00 0.00 175.55 176.69 1qwm h THR 286 N 3.13 0.66 -0.97 -0.71 1.35 -1.98 -0.91 112.91 113.46 1qwm h THR 286 Ca -0.48 -0.80 0.02 0.00 -0.55 0.00 0.00 66.41 64.60 1qwm h THR 286 Cb 1.22 1.51 -0.05 0.00 -1.73 0.00 0.00 68.15 69.10 1qwm h THR 286 CO 0.67 0.18 0.64 0.06 -0.25 0.00 0.00 175.52 176.83 1qwm h GLN 287 N 0.00 1.26 0.10 4.72 3.07 -1.99 -2.77 115.11 119.50 1qwm h GLN 287 Ca -0.00 -0.08 -0.23 0.00 0.09 0.00 0.00 58.65 58.43 1qwm h GLN 287 Cb 0.49 -0.28 0.02 0.00 0.08 0.00 0.00 27.48 27.79 1qwm h GLN 287 CO 0.02 0.83 -0.95 -0.44 0.09 0.00 0.00 178.83 178.39 1qwm h ASP 288 N 1.30 0.67 -2.89 0.06 3.45 -1.60 -3.43 116.42 113.98 1qwm h ASP 288 Ca 0.36 -0.85 -0.56 0.00 0.43 0.00 0.00 57.03 56.41 1qwm h ASP 288 Cb -0.11 -0.21 -0.40 0.00 -0.56 0.00 0.00 39.33 38.05 1qwm h ASP 288 CO -0.09 1.45 -0.79 -0.31 -1.57 0.00 0.00 179.24 177.93 1qwm s TYR 289 N -2.87 0.91 0.71 4.55 2.02 -0.49 -5.06 117.35 117.13 1qwm s TYR 289 Ca -0.12 -1.42 -0.13 0.00 -0.37 0.00 0.00 57.07 55.03 1qwm s TYR 289 Cb 0.04 -1.19 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 1qwm s TYR 289 CO 0.87 -0.84 1.10 -2.14 -1.57 0.00 0.00 175.55 172.98 1qwm s PRO 290 N 1.55 2.55 0.37 -1.71 0.02 -1.05 -4.30 135.00 132.43 1qwm s PRO 290 Ca 0.12 1.27 -0.25 0.00 0.02 0.00 0.00 61.00 62.16 1qwm s PRO 290 Cb -0.19 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.31 1qwm s PRO 290 CO -0.21 -1.43 1.07 -0.51 -0.33 0.00 0.00 177.00 175.59 1qwm s LEU 291 N -5.38 4.23 -0.13 -5.54 1.43 -1.26 -4.51 118.68 107.52 1qwm s LEU 291 Ca 0.64 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.85 1qwm s LEU 291 Cb -0.19 -4.05 0.02 0.00 0.03 0.00 0.00 46.19 42.00 1qwm s LEU 291 CO 0.49 -0.43 -0.13 -0.04 0.23 0.00 0.00 176.35 176.47 1qwm s MET 292 N -2.25 2.12 0.36 1.70 -1.94 0.41 -4.92 119.30 114.79 1qwm s MET 292 Ca 0.55 -0.50 -0.28 0.00 -1.71 0.00 0.00 55.69 53.75 1qwm s MET 292 Cb -0.25 -1.94 -0.10 0.00 2.01 0.00 0.00 34.83 34.56 1qwm s MET 292 CO 0.31 -0.19 1.30 -2.00 -0.01 0.00 0.00 175.02 174.44 1qwm s GLU 293 N 1.37 4.22 -0.01 2.03 2.12 -1.26 -0.24 118.70 126.93 1qwm s GLU 293 Ca 0.01 2.18 -0.00 0.00 0.36 0.00 0.00 54.97 57.53 1qwm s GLU 293 Cb -0.13 -2.96 -0.00 0.00 0.26 0.00 0.00 34.13 31.30 1qwm s GLU 293 CO -0.07 -0.29 -0.01 0.28 -0.54 0.00 0.00 175.26 174.63 1qwm n VAL 294 N 0.56 0.03 -3.96 3.70 0.31 0.86 -4.55 118.33 115.27 1qwm n VAL 294 Ca 0.01 -0.01 0.01 0.00 -0.01 0.00 0.00 64.34 64.35 1qwm n VAL 294 Cb 0.42 -0.97 0.00 0.00 -0.91 0.00 0.00 33.84 32.38 1qwm n VAL 294 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1qwm n GLY 295 N 3.24 0.39 3.04 2.92 0.00 -0.98 -0.96 105.19 112.84 1qwm n GLY 295 Ca -0.01 -0.88 -0.23 0.00 0.00 0.00 0.00 46.02 44.90 1qwm n GLY 295 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qwm s ILE 296 N -2.05 1.05 -0.04 -0.61 1.01 -0.45 0.20 121.20 120.31 1qwm s ILE 296 Ca 0.09 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.26 1qwm s ILE 296 Cb -0.00 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.50 1qwm s ILE 296 CO -0.01 0.32 -0.03 0.54 0.00 0.00 0.00 174.94 175.77 1qwm s VAL 297 N 0.26 4.00 -0.04 2.92 0.11 0.06 -0.75 120.40 126.96 1qwm s VAL 297 Ca -0.06 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 58.52 1qwm s VAL 297 Cb -0.11 -2.71 -0.00 0.00 -1.53 0.00 0.00 36.38 32.02 1qwm s VAL 297 CO 0.02 0.50 -0.15 -0.70 -3.33 0.00 0.00 175.10 171.43 1qwm s GLU 298 N -1.17 1.61 -0.22 1.54 2.12 -0.38 -1.08 118.70 121.12 1qwm s GLU 298 Ca 0.16 -0.53 -0.12 0.00 0.36 0.00 0.00 54.97 54.83 1qwm s GLU 298 Cb -0.11 -1.41 -0.05 0.00 0.26 0.00 0.00 34.13 32.82 1qwm s GLU 298 CO 0.05 0.20 0.23 -0.51 -0.54 0.00 0.00 175.26 174.69 1qwm s LEU 299 N 0.11 4.15 0.00 2.70 1.43 -0.45 -0.81 118.68 125.81 1qwm s LEU 299 Ca -0.04 0.26 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 1qwm s LEU 299 Cb -0.11 -2.23 0.00 0.00 0.03 0.00 0.00 46.19 43.88 1qwm s LEU 299 CO 0.02 0.05 0.49 -0.46 0.23 0.00 0.00 176.35 176.68 1qwm n ASN 300 N 4.16 0.00 -3.68 2.29 0.23 0.05 -3.72 115.26 114.59 1qwm n ASN 300 Ca -0.13 -1.02 -0.10 0.00 -0.53 0.00 0.00 54.58 52.80 1qwm n ASN 300 Cb 0.52 -0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.10 1qwm n ASN 300 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1qwm s LYS 301 N 0.00 0.32 0.23 -3.83 2.20 -0.83 -5.00 119.74 112.83 1qwm s LYS 301 Ca 0.00 0.83 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 1qwm s LYS 301 Cb 0.00 0.07 -0.09 0.00 -1.51 0.00 0.00 37.83 36.30 1qwm s LYS 301 CO 0.00 -0.20 0.90 -0.80 -0.36 0.00 0.00 175.35 174.88 1qwm s ASN 302 N 1.88 7.56 0.69 1.43 0.01 -1.26 -1.19 114.94 124.05 1qwm s ASN 302 Ca -0.06 1.86 -0.17 0.00 -0.71 0.00 0.00 52.86 53.78 1qwm s ASN 302 Cb -0.10 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 38.99 1qwm s ASN 302 CO -0.12 0.16 1.27 -2.84 -1.51 0.00 0.00 177.10 174.06 1qwm s PRO 303 N -1.24 2.33 0.11 -0.60 0.02 -1.26 -4.93 135.00 129.43 1qwm s PRO 303 Ca 0.40 1.97 -0.08 0.00 0.02 0.00 0.00 61.00 63.32 1qwm s PRO 303 Cb -0.25 -1.83 -0.15 0.00 0.02 0.00 0.00 34.50 32.29 1qwm s PRO 303 CO 0.30 -1.74 1.26 0.93 -0.33 0.00 0.00 177.00 177.42 1qwm h GLU 304 N 0.18 0.50 -3.67 5.54 4.39 -2.00 -3.44 114.58 116.08 1qwm h GLU 304 Ca -0.50 -0.55 -0.43 0.00 0.34 0.00 0.00 59.36 58.22 1qwm h GLU 304 Cb 1.32 0.16 -0.38 0.00 -0.10 0.00 0.00 28.75 29.75 1qwm h GLU 304 CO 0.51 1.19 -0.76 1.21 -1.16 0.00 0.00 179.01 180.00 1qwm s ASN 305 N -7.16 1.51 0.05 1.42 3.84 -1.26 -5.04 114.94 108.30 1qwm s ASN 305 Ca -0.07 -0.07 -0.23 0.00 0.21 0.00 0.00 52.86 52.70 1qwm s ASN 305 Cb 0.08 -0.41 -0.15 0.00 -0.55 0.00 0.00 41.25 40.22 1qwm s ASN 305 CO 0.89 -0.19 1.51 0.22 -2.79 0.00 0.00 177.10 176.74 1qwm h TYR 306 N 8.30 0.12 -0.40 0.43 3.20 -1.98 -2.24 116.97 124.41 1qwm h TYR 306 Ca -0.20 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.65 1qwm h TYR 306 Cb 1.12 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.34 1qwm h TYR 306 CO 0.48 0.33 0.20 0.35 -1.64 0.00 0.00 178.16 177.88 1qwm h PHE 307 N -0.12 0.56 0.00 -3.82 3.04 -1.96 0.15 116.94 114.79 1qwm h PHE 307 Ca 0.02 -0.02 -0.14 0.00 3.98 0.00 0.00 57.97 61.81 1qwm h PHE 307 Cb 0.27 -0.18 -0.02 0.00 2.56 0.00 0.00 35.95 38.59 1qwm h PHE 307 CO 0.01 0.45 -0.69 0.00 -2.02 0.00 0.00 178.31 176.07 1qwm h ALA 308 N 1.06 0.86 0.00 2.41 0.00 -1.96 -2.15 119.26 119.48 1qwm h ALA 308 Ca 0.14 -0.62 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 1qwm h ALA 308 Cb 0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 1qwm h ALA 308 CO -0.02 0.86 -2.13 0.39 0.00 0.00 0.00 179.25 178.35 1qwm n GLU 309 N -3.71 0.86 -0.12 0.00 1.02 -0.85 -4.39 120.64 113.45 1qwm n GLU 309 Ca -0.01 0.07 -0.25 0.00 -0.02 0.00 0.00 57.16 56.95 1qwm n GLU 309 Cb 0.68 -1.41 -0.08 0.00 -0.02 0.00 0.00 31.44 30.61 1qwm n GLU 309 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1qwm n VAL 310 N -2.90 1.48 -0.20 2.62 0.31 0.42 -3.55 118.33 116.51 1qwm n VAL 310 Ca -0.32 -0.26 -0.02 0.00 -0.01 0.00 0.00 64.34 63.73 1qwm n VAL 310 Cb 0.93 -1.97 0.19 0.00 -0.91 0.00 0.00 33.84 32.08 1qwm n VAL 310 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1qwm h GLU 311 N -0.97 0.98 -0.00 5.55 4.57 -1.02 -2.45 114.58 121.23 1qwm h GLU 311 Ca -0.54 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.51 1qwm h GLU 311 Cb 1.46 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.87 1qwm h GLU 311 CO -0.33 0.76 -0.14 1.04 -1.18 0.00 0.00 179.01 179.16 1qwm n GLN 312 N -4.34 0.72 -1.85 1.92 6.02 -0.83 -4.90 117.38 114.12 1qwm n GLN 312 Ca 0.06 -0.29 -0.41 0.00 -0.01 0.00 0.00 57.00 56.35 1qwm n GLN 312 Cb 0.13 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 29.90 1qwm n GLN 312 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1qwm s ALA 313 N -2.49 3.51 -0.04 -1.58 0.00 -0.93 -4.89 121.76 115.35 1qwm s ALA 313 Ca 0.28 1.51 0.01 0.00 0.00 0.00 0.00 51.96 53.76 1qwm s ALA 313 Cb 0.20 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.75 1qwm s ALA 313 CO 0.49 -1.01 -0.05 0.00 0.00 0.00 0.00 175.76 175.18 1qwm s ALA 314 N -1.14 0.69 -0.02 0.00 0.00 -1.26 -5.03 121.76 115.00 1qwm s ALA 314 Ca 0.53 -0.11 0.06 0.00 0.00 0.00 0.00 51.96 52.44 1qwm s ALA 314 Cb -0.45 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.28 1qwm s ALA 314 CO 0.60 0.03 -0.22 -0.06 0.00 0.00 0.00 175.76 176.12 1qwm s PHE 315 N 0.69 1.97 -0.01 0.00 0.40 -1.26 -4.95 117.98 114.82 1qwm s PHE 315 Ca -0.10 -0.41 0.02 0.00 -0.60 0.00 0.00 56.93 55.84 1qwm s PHE 315 Cb -0.13 -1.28 -0.00 0.00 0.51 0.00 0.00 43.02 42.13 1qwm s PHE 315 CO 0.00 -0.06 -0.06 -0.08 0.70 0.00 0.00 175.22 175.72 1qwm s THR 316 N -0.43 0.53 0.65 0.64 -1.32 -1.26 -4.84 115.64 109.61 1qwm s THR 316 Ca 0.06 -0.26 0.45 0.00 -1.21 0.00 0.00 61.69 60.73 1qwm s THR 316 Cb -0.09 -0.47 0.45 0.00 -1.51 0.00 0.00 72.50 70.88 1qwm s THR 316 CO -0.00 0.16 2.37 -0.65 -2.21 0.00 0.00 174.62 174.29 1qwm h PRO 317 N 6.19 0.00 0.00 7.08 0.11 -1.84 -1.80 132.00 141.74 1qwm h PRO 317 Ca -0.31 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.78 1qwm h PRO 317 Cb 1.18 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1qwm h PRO 317 CO 0.50 0.00 -0.11 0.00 -0.21 0.00 0.00 178.00 178.17 1qwm h ALA 318 N 2.00 1.20 -0.72 -0.75 0.00 -1.85 -3.38 119.26 115.76 1qwm h ALA 318 Ca -0.00 -0.10 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 1qwm h ALA 318 Cb 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1qwm h ALA 318 CO 0.00 0.14 2.30 0.09 0.00 0.00 0.00 179.25 181.78 1qwm n ASN 319 N -3.51 4.72 -4.87 0.00 3.02 -0.68 -4.93 115.26 109.01 1qwm n ASN 319 Ca -0.01 -2.90 -0.21 0.00 -0.03 0.00 0.00 54.58 51.42 1qwm n ASN 319 Cb 0.26 -1.73 0.07 0.00 -0.61 0.00 0.00 39.78 37.76 1qwm n ASN 319 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1qwm s VAL 320 N 4.31 2.33 0.13 2.41 -7.23 -1.26 -1.18 120.40 119.91 1qwm s VAL 320 Ca 0.54 -0.77 0.04 0.00 -1.81 0.00 0.00 61.98 59.98 1qwm s VAL 320 Cb 0.05 -2.56 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1qwm s VAL 320 CO 0.06 0.00 -0.11 0.68 -0.31 0.00 0.00 175.10 175.42 1qwm s VAL 321 N -2.85 1.13 0.24 1.32 -7.23 -1.26 -4.85 120.40 106.90 1qwm s VAL 321 Ca 0.62 -1.90 -0.31 0.00 -1.81 0.00 0.00 61.98 58.58 1qwm s VAL 321 Cb -0.07 -1.67 -0.14 0.00 0.56 0.00 0.00 36.38 35.06 1qwm s VAL 321 CO 0.40 -0.65 1.32 -2.65 -0.31 0.00 0.00 175.10 173.22 1qwm n PRO 322 N 0.11 1.81 0.00 4.82 -0.02 -1.26 -1.10 135.00 139.36 1qwm n PRO 322 Ca -0.13 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1qwm n PRO 322 Cb 0.59 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 1qwm n PRO 322 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qwm n GLY 323 N 1.96 0.58 3.06 -1.23 0.00 -1.26 -3.48 105.19 104.81 1qwm n GLY 323 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1qwm n GLY 323 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qwm s ILE 324 N -2.17 1.13 0.12 -0.61 1.01 -0.26 -1.54 121.20 118.88 1qwm s ILE 324 Ca 0.00 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.14 1qwm s ILE 324 Cb 0.00 -0.99 -0.01 0.00 0.01 0.00 0.00 42.46 41.47 1qwm s ILE 324 CO 0.00 0.34 0.09 0.61 0.00 0.00 0.00 174.94 175.98 1qwm n GLY 325 N 3.35 3.68 0.01 6.18 0.00 0.82 -4.23 105.19 115.00 1qwm n GLY 325 Ca -0.19 -1.79 -0.00 0.00 0.00 0.00 0.00 46.02 44.04 1qwm n GLY 325 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qwm n TYR 326 N -0.24 -3.44 -3.93 1.61 0.53 -1.26 -1.52 117.16 108.91 1qwm n TYR 326 Ca 0.02 -0.00 -0.10 0.00 -1.02 0.00 0.00 57.90 56.80 1qwm n TYR 326 Cb 0.21 -0.00 -0.06 0.00 -1.03 0.00 0.00 39.34 38.45 1qwm n TYR 326 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 1qwm s SER 327 N -1.01 -0.02 0.00 7.72 1.04 -1.26 -3.12 113.70 117.05 1qwm s SER 327 Ca 0.00 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1qwm s SER 327 Cb -0.00 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1qwm s SER 327 CO 0.00 -0.95 0.80 -0.81 0.98 0.00 0.00 173.24 173.27 1qwm n PRO 328 N -0.26 0.92 -1.92 4.02 -0.04 -1.26 -4.63 135.00 131.83 1qwm n PRO 328 Ca -0.07 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.97 1qwm n PRO 328 Cb 0.63 -1.15 -0.03 0.00 -0.04 0.00 0.00 33.50 32.91 1qwm n PRO 328 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1qwm s ASP 329 N 0.72 6.55 0.41 3.54 -1.08 -1.26 -4.87 116.67 120.69 1qwm s ASP 329 Ca 0.00 2.28 0.07 0.00 -0.52 0.00 0.00 52.55 54.39 1qwm s ASP 329 Cb 0.00 -2.53 0.87 0.00 -1.46 0.00 0.00 42.92 39.80 1qwm s ASP 329 CO 0.00 -1.01 2.06 0.03 0.52 0.00 0.00 175.17 176.77 1qwm h ARG 330 N 10.06 0.52 0.02 4.34 3.08 -1.76 -1.07 114.38 129.58 1qwm h ARG 330 Ca -0.41 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 59.60 1qwm h ARG 330 Cb 1.19 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.12 1qwm h ARG 330 CO 0.95 0.35 -0.01 0.52 -1.07 0.00 0.00 179.97 180.71 1qwm h MET 331 N 0.54 -0.02 -0.90 0.04 2.86 -1.89 -2.61 114.93 112.95 1qwm h MET 331 Ca 0.15 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.88 1qwm h MET 331 Cb -0.05 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 31.54 1qwm h MET 331 CO -0.03 0.38 0.55 1.25 1.06 0.00 0.00 176.91 180.12 1qwm h LEU 332 N -0.43 0.82 -0.63 1.22 5.85 -1.79 -1.56 115.31 118.79 1qwm h LEU 332 Ca -0.00 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1qwm h LEU 332 Cb 0.41 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1qwm h LEU 332 CO 0.00 0.48 0.25 1.56 -0.34 0.00 0.00 178.44 180.40 1qwm h GLN 333 N 0.93 0.94 -0.13 1.25 1.08 -1.16 -2.07 115.11 115.95 1qwm h GLN 333 Ca 0.42 -0.17 -0.13 0.00 -1.45 0.00 0.00 58.65 57.32 1qwm h GLN 333 Cb 0.33 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 1qwm h GLN 333 CO -0.23 0.79 -0.49 0.78 -0.95 0.00 0.00 178.83 178.74 1qwm h GLY 334 N 0.88 0.38 1.81 3.46 0.00 -1.02 -2.76 103.07 105.84 1qwm h GLY 334 Ca 0.21 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1qwm h GLY 334 CO -0.02 0.37 0.11 3.21 0.00 0.00 0.00 176.54 180.22 1qwm h ARG 335 N 0.28 0.25 -0.73 4.80 3.08 -0.66 -1.98 114.38 119.43 1qwm h ARG 335 Ca 0.01 -0.02 0.15 0.00 0.07 0.00 0.00 59.98 60.20 1qwm h ARG 335 Cb 0.97 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.91 1qwm h ARG 335 CO 0.08 0.18 0.49 -0.07 -1.07 0.00 0.00 179.97 179.58 1qwm h LEU 336 N 0.26 0.34 0.00 3.04 3.38 -1.08 -2.72 115.31 118.52 1qwm h LEU 336 Ca 0.07 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.98 1qwm h LEU 336 Cb -0.01 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1qwm h LEU 336 CO -0.01 0.18 -0.44 0.15 0.09 0.00 0.00 178.44 178.40 1qwm h PHE 337 N 0.36 0.00 -0.30 1.13 3.57 -1.50 -3.42 116.94 116.78 1qwm h PHE 337 Ca 0.36 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 1qwm h PHE 337 Cb 0.87 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 1qwm h PHE 337 CO -0.00 1.02 -0.08 0.66 -2.23 0.00 0.00 178.31 177.68 1qwm h SER 338 N -1.00 0.47 0.21 0.41 4.64 -1.13 -2.44 113.55 114.70 1qwm h SER 338 Ca -0.11 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.09 1qwm h SER 338 Cb 0.98 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.95 1qwm h SER 338 CO -0.07 0.59 -0.10 1.88 -0.87 0.00 0.00 176.83 178.26 1qwm h TYR 339 N 0.46 -0.26 -0.83 4.77 0.05 -1.78 -0.31 116.97 119.07 1qwm h TYR 339 Ca 0.09 -0.01 0.13 0.00 0.05 0.00 0.00 58.73 59.00 1qwm h TYR 339 Cb 0.42 0.09 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 1qwm h TYR 339 CO 0.01 0.10 0.54 0.78 -1.05 0.00 0.00 178.16 178.55 1qwm h GLY 340 N -0.94 1.03 0.96 3.88 0.00 -1.81 -0.22 103.07 105.97 1qwm h GLY 340 Ca -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.02 1qwm h GLY 340 CO 0.05 0.10 -0.14 -1.80 0.00 0.00 0.00 176.54 174.75 1qwm h ASP 341 N 0.63 -0.32 0.42 0.19 3.58 -1.28 -2.19 116.42 117.44 1qwm h ASP 341 Ca 0.41 -0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.70 1qwm h ASP 341 Cb 0.69 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.81 1qwm h ASP 341 CO -0.17 -0.19 -0.56 0.00 -2.88 0.00 0.00 179.24 175.44 1qwm h THR 342 N -0.43 1.38 -0.66 2.25 1.03 -0.56 -2.91 112.91 113.01 1qwm h THR 342 Ca -0.04 -1.90 0.04 0.00 -0.01 0.00 0.00 66.41 64.50 1qwm h THR 342 Cb 0.33 1.97 -0.05 0.00 -1.07 0.00 0.00 68.15 69.33 1qwm h THR 342 CO 0.06 0.56 0.39 0.45 -0.01 0.00 0.00 175.52 176.97 1qwm h HIS 343 N 0.12 0.73 -0.90 0.00 3.86 -0.82 0.17 115.15 118.31 1qwm h HIS 343 Ca -0.00 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1qwm h HIS 343 Cb 1.03 -0.23 -0.04 0.00 1.06 0.00 0.00 27.41 29.22 1qwm h HIS 343 CO 0.01 0.39 0.54 0.00 0.86 0.00 0.00 177.93 179.74 1qwm h ARG 344 N 0.76 1.22 0.09 2.45 3.08 -1.20 0.18 114.38 120.95 1qwm h ARG 344 Ca 0.28 -0.11 -0.00 0.00 0.07 0.00 0.00 59.98 60.21 1qwm h ARG 344 Cb 0.08 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1qwm h ARG 344 CO -0.13 0.85 -0.04 -0.92 -1.07 0.00 0.00 179.97 178.65 1qwm h TYR 345 N 1.24 -0.11 -0.13 3.04 3.20 -1.37 -1.38 116.97 121.46 1qwm h TYR 345 Ca 0.32 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.07 1qwm h TYR 345 Cb -0.06 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1qwm h TYR 345 CO 0.01 0.36 -0.44 -0.09 -1.64 0.00 0.00 178.16 176.35 1qwm h ARG 346 N -0.65 0.30 0.00 1.82 2.43 -0.53 -3.36 114.38 114.38 1qwm h ARG 346 Ca -0.01 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 1qwm h ARG 346 Cb 0.52 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1qwm h ARG 346 CO 0.02 0.69 -0.85 1.28 -1.51 0.00 0.00 179.97 179.60 1qwm n LEU 347 N -4.00 0.00 0.00 3.80 4.77 0.04 -4.51 117.00 117.10 1qwm n LEU 347 Ca -0.02 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1qwm n LEU 347 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1qwm n LEU 347 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1qwm n GLY 348 N 2.22 2.22 0.25 -0.72 0.00 -0.52 -4.54 105.19 104.11 1qwm n GLY 348 Ca 0.00 -1.83 0.07 0.00 0.00 0.00 0.00 46.02 44.26 1qwm n GLY 348 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1qwm h VAL 349 N 0.00 1.04 -0.48 1.61 3.04 -1.86 -1.71 116.25 117.89 1qwm h VAL 349 Ca 0.00 -0.16 -0.19 0.00 -1.01 0.00 0.00 66.70 65.34 1qwm h VAL 349 Cb 0.00 1.04 -0.11 0.00 -2.01 0.00 0.00 31.29 30.21 1qwm h VAL 349 CO 0.00 0.05 0.24 0.59 -1.01 0.00 0.00 177.57 177.44 1qwm n ASN 350 N -4.48 3.52 0.20 3.17 3.02 -1.26 -4.49 115.26 114.93 1qwm n ASN 350 Ca -0.02 -2.77 0.18 0.00 -0.03 0.00 0.00 54.58 51.94 1qwm n ASN 350 Cb 0.12 -0.66 0.82 0.00 -0.61 0.00 0.00 39.78 39.46 1qwm n ASN 350 CO 0.00 0.00 0.00 0.10 -2.62 0.00 0.00 177.26 174.74 1qwm h TYR 351 N 1.17 0.00 0.00 3.10 -0.00 -1.54 0.62 116.97 120.32 1qwm h TYR 351 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.96 1qwm h TYR 351 Cb 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.53 1qwm h TYR 351 CO 0.80 0.00 0.00 -2.30 -0.00 0.00 0.00 178.16 176.66 1qwm n PRO 352 N -3.60 0.07 0.00 0.10 -0.02 -1.26 -1.93 135.00 128.36 1qwm n PRO 352 Ca 0.03 0.40 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1qwm n PRO 352 Cb 0.41 -1.65 0.43 0.00 -0.02 0.00 0.00 33.50 32.68 1qwm n PRO 352 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1qwm n GLN 353 N -1.78 1.06 -2.47 -0.52 6.02 0.21 -3.29 117.38 116.60 1qwm n GLN 353 Ca 0.02 -0.61 -0.42 0.00 -0.01 0.00 0.00 57.00 55.98 1qwm n GLN 353 Cb 0.13 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 1qwm n GLN 353 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1qwm s ILE 354 N -2.36 4.00 0.29 5.09 1.01 -0.81 -4.88 121.20 123.54 1qwm s ILE 354 Ca 0.28 1.55 0.04 0.00 0.00 0.00 0.00 60.65 62.52 1qwm s ILE 354 Cb 0.20 -3.99 0.28 0.00 0.01 0.00 0.00 42.46 38.96 1qwm s ILE 354 CO 0.47 0.18 1.74 -0.65 0.00 0.00 0.00 174.94 176.68 1qwm h PRO 355 N 6.05 0.55 0.00 2.79 0.11 -1.89 -0.25 132.00 139.37 1qwm h PRO 355 Ca -0.43 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 1qwm h PRO 355 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 1qwm h PRO 355 CO 0.77 0.36 -0.23 -0.24 -0.21 0.00 0.00 178.00 178.45 1qwm h VAL 356 N 0.57 0.93 -0.00 3.15 3.04 -1.89 -2.76 116.25 119.29 1qwm h VAL 356 Ca 0.55 -0.86 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1qwm h VAL 356 Cb 0.94 1.50 0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1qwm h VAL 356 CO -0.44 0.23 -0.57 0.59 -1.01 0.00 0.00 177.57 176.36 1qwm n ASN 357 N -3.92 0.61 -4.77 3.17 3.02 -0.14 -4.95 115.26 108.28 1qwm n ASN 357 Ca -0.02 -0.40 -0.38 0.00 -0.03 0.00 0.00 54.58 53.76 1qwm n ASN 357 Cb 0.31 0.37 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 1qwm n ASN 357 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1qwm s LYS 358 N -2.98 4.19 0.73 3.52 1.02 -1.01 -4.83 119.74 120.38 1qwm s LYS 358 Ca 0.11 1.68 -0.13 0.00 0.02 0.00 0.00 55.97 57.65 1qwm s LYS 358 Cb 0.17 -2.69 0.04 0.00 -0.52 0.00 0.00 37.83 34.83 1qwm s LYS 358 CO 0.72 -0.16 1.12 -1.25 -0.92 0.00 0.00 175.35 174.86 1qwm s PRO 359 N -2.27 2.37 0.00 -1.68 0.04 -1.26 -4.96 135.00 127.25 1qwm s PRO 359 Ca 0.56 1.37 0.15 0.00 0.04 0.00 0.00 61.00 63.12 1qwm s PRO 359 Cb -0.27 -1.90 0.23 0.00 0.04 0.00 0.00 34.50 32.60 1qwm s PRO 359 CO 0.34 -1.58 1.12 0.54 0.04 0.00 0.00 177.00 177.45 1qwm n ARG 360 N -3.00 1.72 -3.66 4.56 1.74 -1.26 -4.95 116.66 111.81 1qwm n ARG 360 Ca 0.10 -1.71 -0.21 0.00 -0.77 0.00 0.00 57.85 55.26 1qwm n ARG 360 Cb 0.52 -1.33 -0.04 0.00 -1.02 0.00 0.00 32.46 30.60 1qwm n ARG 360 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qwm n PRO 362 N -1.48 1.72 -3.82 0.00 -0.02 -1.26 -5.03 135.00 125.10 1qwm n PRO 362 Ca 0.02 0.62 -0.12 0.00 -2.02 0.00 0.00 63.50 62.00 1qwm n PRO 362 Cb 0.62 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1qwm n PRO 362 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 1qwm s PHE 363 N -1.28 -0.12 -0.32 6.00 -0.12 -1.26 -4.95 117.98 115.93 1qwm s PHE 363 Ca 0.67 0.25 0.03 0.00 -0.05 0.00 0.00 56.93 57.83 1qwm s PHE 363 Cb -0.45 0.03 0.16 0.00 -0.63 0.00 0.00 43.02 42.13 1qwm s PHE 363 CO 0.53 -0.22 0.41 -1.01 -0.05 0.00 0.00 175.22 174.87 1qwm s HIS 364 N -0.67 -0.80 -0.01 3.49 3.76 -1.26 -5.11 115.29 114.69 1qwm s HIS 364 Ca -0.08 -0.08 -0.02 0.00 -0.15 0.00 0.00 55.06 54.73 1qwm s HIS 364 Cb -0.04 -0.23 -0.04 0.00 1.11 0.00 0.00 32.58 33.38 1qwm s HIS 364 CO 0.01 -0.99 0.15 0.45 -0.85 0.00 0.00 174.74 173.51 1qwm s SER 365 N 2.14 6.11 0.00 1.40 0.15 -1.26 -4.99 113.70 117.25 1qwm s SER 365 Ca 0.12 0.27 0.30 0.00 0.70 0.00 0.00 55.95 57.34 1qwm s SER 365 Cb -0.13 -1.86 1.43 0.00 -1.71 0.00 0.00 66.02 63.75 1qwm s SER 365 CO -0.21 0.27 1.99 -1.54 1.20 0.00 0.00 173.24 174.95 1qwm n SER 366 N 1.02 0.14 -4.74 5.45 3.41 -1.26 -4.86 113.62 112.79 1qwm n SER 366 Ca -0.12 -0.27 -0.36 0.00 -0.26 0.00 0.00 58.87 57.86 1qwm n SER 366 Cb 0.53 -0.21 0.06 0.00 -0.26 0.00 0.00 64.21 64.32 1qwm n SER 366 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1qwm s SER 367 N -2.55 4.71 0.04 4.04 0.01 -1.26 -4.82 113.70 113.87 1qwm s SER 367 Ca 0.28 2.49 -0.03 0.00 1.31 0.00 0.00 55.95 60.00 1qwm s SER 367 Cb 0.20 -2.61 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 1qwm s SER 367 CO 0.47 -1.92 0.03 -0.13 0.41 0.00 0.00 173.24 172.09 1qwm s ARG 368 N -3.48 0.52 3.88 12.44 1.81 -1.26 -5.08 118.95 127.78 1qwm s ARG 368 Ca 0.79 -0.83 0.00 0.00 -1.72 0.00 0.00 55.73 53.97 1qwm s ARG 368 Cb -0.33 0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.36 1qwm s ARG 368 CO 0.39 -0.11 0.00 -0.25 -0.68 0.00 0.00 175.30 174.65 1qwm n ASP 369 N 0.83 0.00 0.00 0.23 8.00 -1.26 -5.05 116.55 119.30 1qwm n ASP 369 Ca -0.19 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.31 1qwm n ASP 369 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1qwm n ASP 369 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwm n GLY 370 N 0.00 -1.95 3.73 0.44 0.00 -1.26 -4.67 105.19 101.48 1qwm n GLY 370 Ca 0.00 -1.51 -0.42 0.00 0.00 0.00 0.00 46.02 44.09 1qwm n GLY 370 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qwm n TYR 371 N -2.14 2.66 -3.67 1.61 4.02 -1.26 -3.13 117.16 115.24 1qwm n TYR 371 Ca 0.00 0.37 -0.26 0.00 -0.01 0.00 0.00 57.90 58.00 1qwm n TYR 371 Cb 0.00 -2.53 0.06 0.00 -0.02 0.00 0.00 39.34 36.85 1qwm n TYR 371 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1qwm n MET 372 N 1.54 -6.98 -2.46 -0.72 2.81 -1.26 -4.31 117.12 105.74 1qwm n MET 372 Ca 0.07 0.75 -0.42 0.00 -1.81 0.00 0.00 57.70 56.29 1qwm n MET 372 Cb 0.36 -5.75 -0.03 0.00 -0.71 0.00 0.00 33.22 27.10 1qwm n MET 372 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 1qwm s GLN 373 N -6.39 4.41 0.34 0.03 2.00 -1.18 -4.94 119.66 113.93 1qwm s GLN 373 Ca 0.60 1.70 0.26 0.00 -2.00 0.00 0.00 55.36 55.92 1qwm s GLN 373 Cb -0.28 -3.45 0.77 0.00 0.80 0.00 0.00 33.01 30.85 1qwm s GLN 373 CO 0.74 -0.32 1.74 -2.95 -0.50 0.00 0.00 175.29 174.00 1qwm h ASN 374 N 7.10 0.00 -2.47 6.67 7.08 -1.93 -3.48 115.58 128.55 1qwm h ASN 374 Ca -0.38 0.00 -0.26 0.00 -3.08 0.00 0.00 56.30 52.58 1qwm h ASN 374 Cb 1.19 0.00 0.02 0.00 -2.08 0.00 0.00 38.32 37.45 1qwm h ASN 374 CO 0.84 0.00 -0.36 0.61 -2.08 0.00 0.00 177.43 176.44 1qwm n GLY 375 N 0.85 -0.11 0.37 9.14 0.00 -1.26 -4.91 105.19 109.27 1qwm n GLY 375 Ca 0.04 -0.27 0.15 0.00 0.00 0.00 0.00 46.02 45.94 1qwm n GLY 375 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1qwm h TYR 376 N -0.49 0.32 0.00 1.61 -0.00 -2.02 -2.00 116.97 114.40 1qwm h TYR 376 Ca -0.32 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.42 1qwm h TYR 376 Cb 1.23 -0.10 0.00 0.00 -0.00 0.00 0.00 36.73 37.85 1qwm h TYR 376 CO 0.33 0.14 0.00 2.48 -0.00 0.00 0.00 178.16 181.11 1qwm n TYR 377 N -4.45 0.00 0.00 0.10 0.18 -1.26 -4.97 117.16 106.76 1qwm n TYR 377 Ca 0.11 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.89 1qwm n TYR 377 Cb 0.48 -0.44 0.00 0.00 -0.38 0.00 0.00 39.34 39.00 1qwm n TYR 377 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1qwm n GLY 378 N 0.90 3.32 0.71 -7.48 0.00 -0.76 -1.95 105.19 99.93 1qwm n GLY 378 Ca 0.07 -0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.15 1qwm n GLY 378 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qwm n SER 379 N 4.07 2.08 -4.69 1.61 7.64 -1.26 -4.99 113.62 118.09 1qwm n SER 379 Ca 0.00 -1.89 -0.42 0.00 1.01 0.00 0.00 58.87 57.57 1qwm n SER 379 Cb 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1qwm n SER 379 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1qwm n LEU 380 N 0.61 3.53 -4.48 -3.43 7.94 -0.82 -4.91 117.00 115.44 1qwm n LEU 380 Ca 0.15 1.16 -0.41 0.00 -1.11 0.00 0.00 56.01 55.80 1qwm n LEU 380 Cb 0.36 -1.47 0.02 0.00 0.53 0.00 0.00 43.42 42.85 1qwm n LEU 380 CO 0.11 -0.66 0.14 0.00 -1.11 0.00 0.00 177.39 175.86 1qwm n GLN 381 N 0.37 0.66 -0.39 1.96 0.00 -1.26 -4.93 117.38 113.79 1qwm n GLN 381 Ca 0.06 0.24 0.07 0.00 0.00 0.00 0.00 57.00 57.37 1qwm n GLN 381 Cb 0.37 -1.63 0.18 0.00 0.00 0.00 0.00 30.24 29.16 1qwm n GLN 381 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1qwm n ASN 382 N 0.96 2.14 -3.86 2.61 0.23 -1.26 -4.97 115.26 111.11 1qwm n ASN 382 Ca 0.11 -3.51 -0.09 0.00 -0.53 0.00 0.00 54.58 50.56 1qwm n ASN 382 Cb 0.42 -0.50 -0.07 0.00 -2.08 0.00 0.00 39.78 37.55 1qwm n ASN 382 CO 0.00 0.00 0.00 -0.72 -0.93 0.00 0.00 177.26 175.61 1qwm s TYR 383 N -3.07 0.17 0.07 -2.53 -0.85 -1.26 -4.89 117.35 104.99 1qwm s TYR 383 Ca 0.36 -0.59 0.00 0.00 -0.52 0.00 0.00 57.07 56.32 1qwm s TYR 383 Cb 0.33 -0.05 -0.04 0.00 0.38 0.00 0.00 41.96 42.58 1qwm s TYR 383 CO -0.02 -0.57 -0.04 0.95 -1.52 0.00 0.00 175.55 174.36 1qwm s THR 384 N -3.87 0.39 0.95 -3.49 -4.23 -1.26 -4.72 115.64 99.42 1qwm s THR 384 Ca 0.06 -1.86 -0.15 0.00 -1.18 0.00 0.00 61.69 58.57 1qwm s THR 384 Cb 0.05 -1.60 0.17 0.00 1.34 0.00 0.00 72.50 72.45 1qwm s THR 384 CO -0.10 -0.93 1.21 -2.16 -0.54 0.00 0.00 174.62 172.10 1qwm s PRO 385 N -3.89 0.78 0.02 3.99 0.04 -1.26 -5.19 135.00 129.49 1qwm s PRO 385 Ca 0.10 -0.05 -0.21 0.00 0.04 0.00 0.00 61.00 60.87 1qwm s PRO 385 Cb 0.07 -1.83 0.05 0.00 0.04 0.00 0.00 34.50 32.83 1qwm s PRO 385 CO -0.08 -2.37 0.49 0.45 0.04 0.00 0.00 177.00 175.53 1qwm s SER 386 N -4.43 -0.40 0.02 6.66 0.15 -1.26 -5.02 113.70 109.42 1qwm s SER 386 Ca 0.68 0.19 0.26 0.00 0.70 0.00 0.00 55.95 57.78 1qwm s SER 386 Cb -0.09 0.46 0.62 0.00 -1.71 0.00 0.00 66.02 65.29 1qwm s SER 386 CO 0.53 -0.65 1.50 -1.20 1.20 0.00 0.00 173.24 174.61 1qwm n SER 387 N 0.61 0.44 -4.99 5.45 7.64 -1.26 -4.91 113.62 116.61 1qwm n SER 387 Ca -0.19 -0.05 -0.19 0.00 1.01 0.00 0.00 58.87 59.45 1qwm n SER 387 Cb 0.59 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.88 1qwm n SER 387 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1qwm s LEU 388 N -3.19 3.85 0.34 -3.43 1.43 -1.26 -5.06 118.68 111.36 1qwm s LEU 388 Ca 0.11 -0.20 -0.27 0.00 -1.03 0.00 0.00 54.13 52.74 1qwm s LEU 388 Cb 0.17 -2.77 -0.13 0.00 0.03 0.00 0.00 46.19 43.50 1qwm s LEU 388 CO 0.67 -0.56 1.07 -2.65 0.23 0.00 0.00 176.35 175.11 1qwm n PRO 389 N -1.75 1.52 -0.36 1.29 -0.02 -1.26 -4.91 135.00 129.50 1qwm n PRO 389 Ca 0.02 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 1qwm n PRO 389 Cb 0.58 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1qwm n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qwm n GLY 390 N 1.11 1.28 3.75 -1.23 0.00 -1.26 -5.01 105.19 103.84 1qwm n GLY 390 Ca 0.08 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1qwm n GLY 390 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1qwm n TYR 391 N 0.00 2.86 -4.38 1.61 4.02 -1.26 -5.01 117.16 115.00 1qwm n TYR 391 Ca 0.00 0.26 -0.30 0.00 -0.01 0.00 0.00 57.90 57.85 1qwm n TYR 391 Cb 0.00 -2.59 -0.17 0.00 -0.02 0.00 0.00 39.34 36.56 1qwm n TYR 391 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 1qwm s LYS 392 N -0.57 2.42 0.63 -0.72 -0.14 -1.26 -5.00 119.74 115.10 1qwm s LYS 392 Ca 0.64 -0.62 -0.14 0.00 -1.36 0.00 0.00 55.97 54.48 1qwm s LYS 392 Cb -0.50 -2.07 -0.02 0.00 -1.68 0.00 0.00 37.83 33.57 1qwm s LYS 392 CO 0.49 -0.10 1.06 -1.21 -0.76 0.00 0.00 175.35 174.83 1qwm s GLU 393 N 1.09 3.18 -0.68 1.68 2.02 -1.26 -5.02 118.70 119.70 1qwm s GLU 393 Ca -0.03 1.11 -0.08 0.00 0.02 0.00 0.00 54.97 55.98 1qwm s GLU 393 Cb -0.14 -2.02 0.18 0.00 0.10 0.00 0.00 34.13 32.25 1qwm s GLU 393 CO -0.04 -0.91 0.56 0.34 0.02 0.00 0.00 175.26 175.22 1qwm s ASP 394 N -3.15 5.92 0.27 -0.19 3.68 -1.26 -4.97 116.67 116.97 1qwm s ASP 394 Ca 0.61 -2.65 0.25 0.00 2.13 0.00 0.00 52.55 52.89 1qwm s ASP 394 Cb -0.15 -2.02 0.95 0.00 -1.45 0.00 0.00 42.92 40.25 1qwm s ASP 394 CO 0.43 -0.50 1.74 0.11 0.13 0.00 0.00 175.17 177.09 1qwm h LYS 395 N 7.54 0.00 0.00 4.34 1.57 -2.02 -2.63 116.57 125.38 1qwm h LYS 395 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1qwm h LYS 395 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1qwm h LYS 395 CO 0.75 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 180.29 1qwm h SER 396 N 0.00 0.00 -0.13 0.86 4.64 -2.05 -2.53 113.55 114.35 1qwm h SER 396 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qwm h SER 396 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1qwm h SER 396 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1qwm n ALA 397 N -2.04 2.54 -1.72 5.18 0.00 -0.99 -4.91 120.51 118.57 1qwm n ALA 397 Ca -0.01 -0.44 -0.36 0.00 0.00 0.00 0.00 53.44 52.63 1qwm n ALA 397 Cb 0.16 -1.14 0.05 0.00 0.00 0.00 0.00 19.45 18.53 1qwm n ALA 397 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1qwm s ARG 398 N -1.84 2.73 0.11 0.00 1.70 -0.95 -4.91 118.95 115.78 1qwm s ARG 398 Ca 0.32 1.94 -0.30 0.00 -0.47 0.00 0.00 55.73 57.22 1qwm s ARG 398 Cb 0.17 -1.88 -0.06 0.00 -0.57 0.00 0.00 34.95 32.60 1qwm s ARG 398 CO 0.26 -1.43 1.00 0.34 -1.08 0.00 0.00 175.30 174.38 1qwm s ASP 399 N -1.52 7.44 0.84 -2.89 -1.08 -1.26 -5.02 116.67 113.18 1qwm s ASP 399 Ca 0.80 1.85 -0.12 0.00 -0.52 0.00 0.00 52.55 54.55 1qwm s ASP 399 Cb -0.34 -2.59 0.10 0.00 -1.46 0.00 0.00 42.92 38.63 1qwm s ASP 399 CO 0.37 -0.12 1.19 -2.84 0.52 0.00 0.00 175.17 174.29 1qwm s PRO 400 N 0.03 1.44 0.42 4.34 0.02 -1.26 -4.92 135.00 135.08 1qwm s PRO 400 Ca 0.48 1.71 -0.23 0.00 0.02 0.00 0.00 61.00 62.98 1qwm s PRO 400 Cb -0.24 -1.76 -0.11 0.00 0.02 0.00 0.00 34.50 32.40 1qwm s PRO 400 CO 0.31 -2.35 0.76 1.63 -0.33 0.00 0.00 177.00 177.02 1qwm n LYS 401 N -3.57 0.90 -3.99 5.54 5.02 -1.26 -4.98 118.16 115.82 1qwm n LYS 401 Ca 0.13 0.33 -0.31 0.00 -2.02 0.00 0.00 58.31 56.44 1qwm n LYS 401 Cb 0.51 -1.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.62 1qwm n LYS 401 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 1qwm s PHE 402 N -1.37 2.67 -0.29 2.13 5.36 -1.26 -5.07 117.98 120.15 1qwm s PHE 402 Ca 0.64 -1.92 -0.23 0.00 -0.96 0.00 0.00 56.93 54.45 1qwm s PHE 402 Cb -0.58 -1.69 -0.00 0.00 -0.34 0.00 0.00 43.02 40.40 1qwm s PHE 402 CO 0.57 -0.81 0.78 1.21 -1.46 0.00 0.00 175.22 175.51 1qwm s ASN 403 N 1.30 6.68 0.62 6.13 3.84 -1.26 -4.93 114.94 127.32 1qwm s ASN 403 Ca -0.06 0.73 0.40 0.00 0.21 0.00 0.00 52.86 54.13 1qwm s ASN 403 Cb -0.19 -2.40 2.00 0.00 -0.55 0.00 0.00 41.25 40.10 1qwm s ASN 403 CO -0.06 -0.57 2.22 -0.07 -2.79 0.00 0.00 177.10 175.83 1qwm h LEU 404 N 9.35 0.00 -2.49 3.21 3.38 -1.98 -2.21 115.31 124.57 1qwm h LEU 404 Ca -0.24 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 1qwm h LEU 404 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.85 1qwm h LEU 404 CO 0.87 0.01 -0.02 0.00 0.09 0.00 0.00 178.44 179.38 1qwm h ALA 405 N 1.99 1.19 0.00 1.53 0.00 -1.92 -1.66 119.26 120.39 1qwm h ALA 405 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1qwm h ALA 405 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1qwm h ALA 405 CO 0.00 0.03 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1qwm n HIS 406 N -3.39 0.00 0.00 0.00 8.25 -0.83 -3.95 115.22 115.30 1qwm n HIS 406 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.44 1qwm n HIS 406 Cb 0.13 -0.49 0.00 0.00 1.12 0.00 0.00 29.99 30.75 1qwm n HIS 406 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1qwm n ILE 407 N -1.49 0.00 -3.89 1.59 -5.35 -0.67 -2.80 119.36 106.76 1qwm n ILE 407 Ca 0.03 -0.12 -0.08 0.00 -0.27 0.00 0.00 62.75 62.32 1qwm n ILE 407 Cb 0.16 0.62 -0.02 0.00 -1.74 0.00 0.00 39.64 38.66 1qwm n ILE 407 CO 0.00 0.00 0.00 -1.83 -1.76 0.00 0.00 176.55 172.96 1qwm s GLU 408 N -0.69 1.87 0.00 6.28 -1.05 -0.95 -4.77 118.70 119.39 1qwm s GLU 408 Ca 0.00 -1.21 0.00 0.00 -0.15 0.00 0.00 54.97 53.61 1qwm s GLU 408 Cb 0.00 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.27 1qwm s GLU 408 CO 0.00 -0.85 0.34 0.36 0.95 0.00 0.00 175.26 176.06 1qwm n LYS 409 N -0.47 1.33 -4.57 -4.83 2.85 -1.26 -4.37 118.16 106.84 1qwm n LYS 409 Ca -0.04 -0.34 -0.24 0.00 -1.05 0.00 0.00 58.31 56.64 1qwm n LYS 409 Cb 0.60 -0.83 -0.14 0.00 -0.65 0.00 0.00 35.03 34.01 1qwm n LYS 409 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1qwm s GLU 410 N -0.29 1.25 0.00 -1.58 2.02 -1.26 -5.05 118.70 113.79 1qwm s GLU 410 Ca 0.00 -0.85 0.00 0.00 0.02 0.00 0.00 54.97 54.14 1qwm s GLU 410 Cb 0.00 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.91 1qwm s GLU 410 CO 0.00 0.34 0.14 1.19 0.02 0.00 0.00 175.26 176.94 1qwm n PHE 411 N 1.95 0.00 -2.07 1.61 3.01 -1.26 -5.06 117.46 115.65 1qwm n PHE 411 Ca -0.17 -0.01 -0.36 0.00 1.01 0.00 0.00 57.45 57.92 1qwm n PHE 411 Cb 0.54 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.03 1qwm n PHE 411 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1qwm s GLU 412 N -0.02 3.17 -0.05 -1.08 8.01 -1.26 -4.98 118.70 122.50 1qwm s GLU 412 Ca 0.00 1.83 -0.30 0.00 0.01 0.00 0.00 54.97 56.51 1qwm s GLU 412 Cb 0.00 -2.05 -0.04 0.00 -4.31 0.00 0.00 34.13 27.73 1qwm s GLU 412 CO 0.00 -1.04 1.22 0.08 0.01 0.00 0.00 175.26 175.53 1qwm s VAL 413 N -1.58 4.18 0.12 2.63 1.01 -1.26 -4.98 120.40 120.52 1qwm s VAL 413 Ca 0.74 1.52 -0.26 0.00 0.00 0.00 0.00 61.98 63.98 1qwm s VAL 413 Cb -0.30 -3.98 0.08 0.00 0.00 0.00 0.00 36.38 32.18 1qwm s VAL 413 CO 0.34 0.00 1.07 0.86 0.00 0.00 0.00 175.10 177.37 1qwm s TRP 414 N 2.22 -0.05 -0.74 5.22 -0.00 -1.26 -5.08 118.94 119.25 1qwm s TRP 414 Ca 0.57 -0.23 -0.19 0.00 -0.00 0.00 0.00 56.10 56.25 1qwm s TRP 414 Cb -0.26 0.63 0.12 0.00 -0.00 0.00 0.00 33.47 33.96 1qwm s TRP 414 CO 0.23 -0.70 0.90 0.54 -0.00 0.00 0.00 176.95 177.92 1qwm s ASN 415 N -3.11 6.38 -0.30 5.86 4.22 -1.26 -5.03 114.94 121.71 1qwm s ASN 415 Ca 0.16 -1.66 -0.22 0.00 -2.14 0.00 0.00 52.86 49.00 1qwm s ASN 415 Cb -0.00 -2.35 -0.01 0.00 1.28 0.00 0.00 41.25 40.17 1qwm s ASN 415 CO 0.02 -1.12 0.70 0.26 -2.04 0.00 0.00 177.10 174.92 1qwm s TRP 416 N 2.73 3.22 -0.14 1.54 0.52 -1.26 -4.99 118.94 120.57 1qwm s TRP 416 Ca 0.21 0.73 -0.29 0.00 0.02 0.00 0.00 56.10 56.77 1qwm s TRP 416 Cb -0.15 -3.06 -0.06 0.00 -1.15 0.00 0.00 33.47 29.05 1qwm s TRP 416 CO 0.01 -0.49 2.07 0.34 0.02 0.00 0.00 176.95 178.90 1qwm s ASP 417 N 1.59 5.88 0.47 2.95 -1.08 -1.26 -4.83 116.67 120.38 1qwm s ASP 417 Ca 0.28 2.09 0.14 0.00 -0.52 0.00 0.00 52.55 54.55 1qwm s ASP 417 Cb -0.15 -2.52 1.10 0.00 -1.46 0.00 0.00 42.92 39.89 1qwm s ASP 417 CO 0.11 -1.60 2.06 0.22 0.52 0.00 0.00 175.17 176.48 1qwm h TYR 418 N 13.14 0.27 0.00 -5.34 -0.00 -1.94 -2.10 116.97 121.01 1qwm h TYR 418 Ca -0.43 0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.27 1qwm h TYR 418 Cb 1.23 -0.09 -0.01 0.00 -0.00 0.00 0.00 36.73 37.86 1qwm h TYR 418 CO 0.94 0.15 -0.21 0.00 -0.00 0.00 0.00 178.16 179.05 1qwm h ARG 419 N 0.27 0.00 0.00 1.82 3.08 -1.88 -0.01 114.38 117.66 1qwm h ARG 419 Ca 0.15 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1qwm h ARG 419 Cb 0.26 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1qwm h ARG 419 CO -0.03 0.21 -0.44 0.00 -1.07 0.00 0.00 179.97 178.63 1qwm h ALA 420 N 1.79 0.72 0.05 0.04 0.00 -1.77 -3.28 119.26 116.81 1qwm h ALA 420 Ca -0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 54.91 54.21 1qwm h ALA 420 Cb 0.61 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 1qwm h ALA 420 CO 0.03 0.55 -1.65 0.22 0.00 0.00 0.00 179.25 178.40 1qwm h ASP 421 N 0.00 0.15 -2.62 0.00 1.82 -1.42 -3.47 116.42 110.88 1qwm h ASP 421 Ca -0.00 -0.28 -0.07 0.00 -0.39 0.00 0.00 57.03 56.29 1qwm h ASP 421 Cb 1.33 -0.05 -0.26 0.00 0.68 0.00 0.00 39.33 41.03 1qwm h ASP 421 CO 0.06 1.24 -0.30 -0.62 -1.61 0.00 0.00 179.24 178.01 1qwm s ASP 422 N -6.50 -0.46 -0.16 2.28 2.15 -0.07 -5.02 116.67 108.90 1qwm s ASP 422 Ca -0.08 1.07 0.17 0.00 0.43 0.00 0.00 52.55 54.15 1qwm s ASP 422 Cb 0.08 1.35 0.44 0.00 -0.30 0.00 0.00 42.92 44.49 1qwm s ASP 422 CO 0.82 -0.22 1.18 -1.54 -0.17 0.00 0.00 175.17 175.24 1qwm n SER 423 N 5.10 1.98 -3.94 -0.34 3.41 -1.25 -4.16 113.62 114.42 1qwm n SER 423 Ca -0.13 -2.96 -0.43 0.00 -0.26 0.00 0.00 58.87 55.10 1qwm n SER 423 Cb 0.51 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1qwm n SER 423 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1qwm n ASP 424 N -0.44 5.17 0.10 4.04 2.03 -1.26 -4.74 116.55 121.46 1qwm n ASP 424 Ca 0.17 -3.11 0.03 0.00 0.52 0.00 0.00 54.79 52.40 1qwm n ASP 424 Cb 0.91 -1.48 -0.01 0.00 -0.72 0.00 0.00 41.12 39.82 1qwm n ASP 424 CO 0.00 0.00 0.00 1.88 -1.92 0.00 0.00 177.20 177.16 1qwm h TYR 425 N 5.90 0.00 0.00 -0.67 0.99 -1.93 -3.40 116.97 117.86 1qwm h TYR 425 Ca 0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 1qwm h TYR 425 Cb 0.66 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.39 1qwm h TYR 425 CO 1.22 0.47 -1.21 0.66 -0.00 0.00 0.00 178.16 179.29 1qwm n TYR 426 N -3.07 0.00 0.30 4.88 4.02 -1.26 -4.56 117.16 117.48 1qwm n TYR 426 Ca -0.02 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.71 1qwm n TYR 426 Cb 0.75 -0.18 -0.09 0.00 -0.02 0.00 0.00 39.34 39.80 1qwm n TYR 426 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1qwm h THR 427 N 0.00 0.44 -0.20 -0.72 2.02 -1.89 -2.36 112.91 110.21 1qwm h THR 427 Ca 0.00 -0.12 -0.19 0.00 0.77 0.00 0.00 66.41 66.87 1qwm h THR 427 Cb 0.45 0.49 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1qwm h THR 427 CO 0.00 0.02 -0.63 1.56 0.37 0.00 0.00 175.52 176.84 1qwm h GLN 428 N -0.82 0.78 -0.96 6.66 4.20 -1.86 -2.33 115.11 120.78 1qwm h GLN 428 Ca -0.08 -0.57 0.07 0.00 0.06 0.00 0.00 58.65 58.13 1qwm h GLN 428 Cb 0.60 0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.41 1qwm h GLN 428 CO 0.12 1.19 0.62 -1.35 -0.67 0.00 0.00 178.83 178.75 1qwm h PRO 429 N 0.51 1.08 -0.34 1.46 0.11 -1.80 -0.57 132.00 132.44 1qwm h PRO 429 Ca -0.02 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.01 1qwm h PRO 429 Cb 1.26 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1qwm h PRO 429 CO 0.13 0.71 0.17 0.78 -0.21 0.00 0.00 178.00 179.59 1qwm h GLY 430 N 1.11 0.52 1.01 -0.55 0.00 -1.23 0.19 103.07 104.12 1qwm h GLY 430 Ca 0.41 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.49 1qwm h GLY 430 CO -0.16 0.24 0.41 -0.55 0.00 0.00 0.00 176.54 176.49 1qwm h ASP 431 N 0.42 0.72 -0.07 0.19 3.32 -1.11 -1.80 116.42 118.09 1qwm h ASP 431 Ca 0.12 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.15 1qwm h ASP 431 Cb 0.11 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1qwm h ASP 431 CO -0.02 0.53 0.04 0.22 -1.72 0.00 0.00 179.24 178.29 1qwm h TYR 432 N 0.85 0.09 -0.51 4.55 3.20 -0.91 -2.23 116.97 122.01 1qwm h TYR 432 Ca 0.23 0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.18 1qwm h TYR 432 Cb -0.09 -0.03 -0.07 0.00 1.54 0.00 0.00 36.73 38.08 1qwm h TYR 432 CO -0.03 0.09 0.12 -0.92 -1.64 0.00 0.00 178.16 175.78 1qwm h TYR 433 N 0.06 0.20 0.00 -3.82 3.20 -0.84 -1.89 116.97 113.88 1qwm h TYR 433 Ca 0.02 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 1qwm h TYR 433 Cb 0.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1qwm h TYR 433 CO -0.06 0.02 -0.19 0.00 -1.64 0.00 0.00 178.16 176.28 1qwm h ARG 434 N 0.26 0.00 0.00 1.82 3.08 -1.14 -2.05 114.38 116.36 1qwm h ARG 434 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1qwm h ARG 434 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1qwm h ARG 434 CO -0.31 0.19 0.00 0.66 -1.07 0.00 0.00 179.97 179.44 1qwm h SER 435 N 0.00 0.00 -3.84 7.04 4.64 -0.72 -3.45 113.55 117.22 1qwm h SER 435 Ca -0.00 0.00 -0.49 0.00 -0.47 0.00 0.00 61.79 60.83 1qwm h SER 435 Cb 0.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1qwm h SER 435 CO 0.02 0.00 0.40 -0.76 -0.87 0.00 0.00 176.83 175.62 1qwm s LEU 436 N -4.90 4.46 0.81 5.97 1.43 -0.77 -5.01 118.68 120.66 1qwm s LEU 436 Ca 0.06 2.04 -0.12 0.00 -1.03 0.00 0.00 54.13 55.08 1qwm s LEU 436 Cb 0.10 -3.81 0.08 0.00 0.03 0.00 0.00 46.19 42.59 1qwm s LEU 436 CO 0.51 -0.11 1.16 -2.16 0.23 0.00 0.00 176.35 175.98 1qwm s PRO 437 N -1.70 1.73 0.39 1.29 0.04 -1.26 -4.73 135.00 130.76 1qwm s PRO 437 Ca 0.47 1.57 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1qwm s PRO 437 Cb -0.25 -1.81 0.77 0.00 0.04 0.00 0.00 34.50 33.25 1qwm s PRO 437 CO 0.32 -2.11 1.99 0.00 0.04 0.00 0.00 177.00 177.25 1qwm h ALA 438 N -1.05 1.59 -0.12 8.56 0.00 -1.96 -0.63 119.26 125.65 1qwm h ALA 438 Ca -0.45 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1qwm h ALA 438 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1qwm h ALA 438 CO 0.47 0.33 -0.48 0.38 0.00 0.00 0.00 179.25 179.94 1qwm h ASP 439 N 0.52 0.32 -0.11 0.00 2.03 -2.00 -2.62 116.42 114.56 1qwm h ASP 439 Ca 0.13 -0.15 -0.22 0.00 -0.73 0.00 0.00 57.03 56.05 1qwm h ASP 439 Cb 0.08 -0.09 0.01 0.00 -0.83 0.00 0.00 39.33 38.50 1qwm h ASP 439 CO -0.02 0.76 -0.81 -0.08 -1.03 0.00 0.00 179.24 178.06 1qwm h GLU 440 N 0.24 0.74 -0.97 4.15 4.81 -1.61 -2.60 114.58 119.34 1qwm h GLU 440 Ca 0.01 -0.65 0.13 0.00 -0.13 0.00 0.00 59.36 58.72 1qwm h GLU 440 Cb 0.94 0.15 -0.08 0.00 0.63 0.00 0.00 28.75 30.39 1qwm h GLU 440 CO 0.08 1.25 0.61 0.87 -0.73 0.00 0.00 179.01 181.09 1qwm h LYS 441 N 0.44 0.87 -0.01 1.92 1.57 -1.08 -0.71 116.57 119.56 1qwm h LYS 441 Ca -0.07 -0.05 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 1qwm h LYS 441 Cb 1.45 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.55 1qwm h LYS 441 CO 0.16 0.57 -0.82 0.93 -0.57 0.00 0.00 179.45 179.73 1qwm h GLU 442 N 0.89 0.21 -0.67 3.15 4.39 -1.18 -0.76 114.58 120.61 1qwm h GLU 442 Ca 0.49 -0.21 -0.06 0.00 0.34 0.00 0.00 59.36 59.92 1qwm h GLU 442 Cb 0.58 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1qwm h GLU 442 CO -0.25 0.91 0.19 0.00 -1.16 0.00 0.00 179.01 178.70 1qwm h ARG 443 N 0.13 1.06 -0.36 2.33 3.08 -1.11 -2.18 114.38 117.33 1qwm h ARG 443 Ca -0.04 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 1qwm h ARG 443 Cb 1.42 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 1qwm h ARG 443 CO 0.13 0.93 0.19 1.25 -1.07 0.00 0.00 179.97 181.40 1qwm h LEU 444 N 0.99 0.46 -0.78 3.04 5.85 -0.92 -0.09 115.31 123.87 1qwm h LEU 444 Ca 0.21 -0.11 0.07 0.00 0.84 0.00 0.00 57.88 58.90 1qwm h LEU 444 Cb 0.33 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1qwm h LEU 444 CO -0.00 0.44 0.45 0.45 -0.34 0.00 0.00 178.44 179.44 1qwm h HIS 445 N 0.45 0.83 -0.30 1.25 3.86 -0.99 -1.68 115.15 118.57 1qwm h HIS 445 Ca 0.13 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1qwm h HIS 445 Cb 0.09 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1qwm h HIS 445 CO -0.02 0.39 -0.13 0.22 0.86 0.00 0.00 177.93 179.25 1qwm h ASP 446 N 0.81 0.63 -0.39 2.45 3.58 -0.85 -1.02 116.42 121.63 1qwm h ASP 446 Ca 0.35 -0.40 0.03 0.00 0.42 0.00 0.00 57.03 57.44 1qwm h ASP 446 Cb 0.24 -0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 1qwm h ASP 446 CO -0.20 0.89 0.19 0.74 -2.88 0.00 0.00 179.24 177.98 1qwm h THR 447 N 0.38 0.96 -0.08 2.25 2.02 -0.78 -0.73 112.91 116.93 1qwm h THR 447 Ca 0.07 -0.13 -0.11 0.00 0.77 0.00 0.00 66.41 67.01 1qwm h THR 447 Cb 0.64 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1qwm h THR 447 CO 0.04 0.07 -0.39 0.40 0.37 0.00 0.00 175.52 176.01 1qwm h ILE 448 N 0.38 1.41 -0.82 3.11 2.04 -1.26 -2.70 117.51 119.67 1qwm h ILE 448 Ca 0.17 -1.77 0.04 0.00 1.00 0.00 0.00 64.86 64.30 1qwm h ILE 448 Cb 0.09 2.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.41 1qwm h ILE 448 CO -0.13 0.52 0.54 1.23 0.00 0.00 0.00 178.15 180.30 1qwm h GLY 449 N -0.06 1.15 0.98 5.37 0.00 -1.06 0.20 103.07 109.65 1qwm h GLY 449 Ca -0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 1qwm h GLY 449 CO 0.08 0.33 0.22 -2.09 0.00 0.00 0.00 176.54 175.09 1qwm h GLU 450 N 1.00 0.78 0.12 4.80 4.22 -1.15 -1.56 114.58 122.79 1qwm h GLU 450 Ca 0.33 -0.13 -0.01 0.00 0.08 0.00 0.00 59.36 59.63 1qwm h GLU 450 Cb 0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.18 1qwm h GLU 450 CO -0.10 0.68 -0.06 1.03 -2.18 0.00 0.00 179.01 178.38 1qwm h SER 451 N 0.72 -0.13 -0.02 1.04 0.87 -1.00 -3.10 113.55 111.92 1qwm h SER 451 Ca 0.18 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1qwm h SER 451 Cb 0.18 0.03 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1qwm h SER 451 CO -0.02 0.17 0.02 -0.07 -0.53 0.00 0.00 176.83 176.40 1qwm h LEU 452 N -0.45 0.00 -1.07 2.23 3.38 -0.58 -2.34 115.31 116.49 1qwm h LEU 452 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1qwm h LEU 452 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1qwm h LEU 452 CO 0.03 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.56 1qwm h ALA 453 N 1.98 1.00 0.00 1.53 0.00 -1.20 -1.78 119.26 120.80 1qwm h ALA 453 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1qwm h ALA 453 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1qwm h ALA 453 CO -0.00 0.00 -0.07 0.45 0.00 0.00 0.00 179.25 179.63 1qwm h HIS 454 N 0.00 0.00 -3.34 0.00 3.86 -1.52 -3.45 115.15 110.71 1qwm h HIS 454 Ca 0.00 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.68 1qwm h HIS 454 Cb 0.33 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.82 1qwm h HIS 454 CO 0.00 0.00 0.59 0.08 0.86 0.00 0.00 177.93 179.46 1qwm s VAL 455 N -3.11 3.59 -2.24 2.45 1.01 -0.67 -4.69 120.40 116.74 1qwm s VAL 455 Ca 0.10 1.25 0.24 0.00 0.00 0.00 0.00 61.98 63.57 1qwm s VAL 455 Cb 0.12 -3.80 0.14 0.00 0.00 0.00 0.00 36.38 32.84 1qwm s VAL 455 CO 0.61 0.16 1.28 0.35 0.00 0.00 0.00 175.10 177.51 1qwm n THR 456 N 3.05 0.00 -3.81 3.92 -2.24 -1.26 -4.78 114.28 109.15 1qwm n THR 456 Ca 0.07 -0.29 -0.36 0.00 -2.27 0.00 0.00 64.05 61.20 1qwm n THR 456 Cb 0.44 1.07 -0.12 0.00 -2.10 0.00 0.00 70.33 69.62 1qwm n THR 456 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qwm s HIS 457 N -2.33 3.43 0.54 4.78 3.76 -1.26 -4.97 115.29 119.24 1qwm s HIS 457 Ca 0.24 -2.08 0.20 0.00 -0.15 0.00 0.00 55.06 53.27 1qwm s HIS 457 Cb 0.19 -2.71 1.41 0.00 1.11 0.00 0.00 32.58 32.58 1qwm s HIS 457 CO 0.48 -0.88 2.16 -0.22 -0.85 0.00 0.00 174.74 175.43 1qwm h LYS 458 N 8.06 0.00 -0.75 1.40 3.64 -2.00 -0.69 116.57 126.23 1qwm h LYS 458 Ca -0.17 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.22 1qwm h LYS 458 Cb 1.06 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.84 1qwm h LYS 458 CO 0.63 0.00 0.50 0.93 -2.27 0.00 0.00 179.45 179.24 1qwm h GLU 459 N 0.00 0.96 -0.25 1.90 3.07 -1.99 -0.61 114.58 117.66 1qwm h GLU 459 Ca 0.02 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 58.74 1qwm h GLU 459 Cb 0.08 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 27.77 1qwm h GLU 459 CO -0.00 0.63 -0.14 0.82 -1.40 0.00 0.00 179.01 178.92 1qwm h ILE 460 N 0.98 1.30 -0.40 3.13 2.04 -1.53 -1.47 117.51 121.56 1qwm h ILE 460 Ca 0.28 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1qwm h ILE 460 Cb -0.06 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1qwm h ILE 460 CO -0.07 0.39 0.12 0.58 0.00 0.00 0.00 178.15 179.17 1qwm h VAL 461 N 0.25 1.22 -0.41 1.67 2.07 -1.30 -1.02 116.25 118.73 1qwm h VAL 461 Ca 0.05 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.85 1qwm h VAL 461 Cb 0.66 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 1qwm h VAL 461 CO 0.04 0.26 0.25 0.44 0.02 0.00 0.00 177.57 178.58 1qwm h ASP 462 N 0.51 0.49 -0.69 0.57 3.32 -1.10 -0.52 116.42 119.00 1qwm h ASP 462 Ca 0.13 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.22 1qwm h ASP 462 Cb 0.27 -0.12 -0.07 0.00 0.22 0.00 0.00 39.33 39.63 1qwm h ASP 462 CO -0.00 0.40 0.33 0.50 -1.72 0.00 0.00 179.24 178.75 1qwm h LYS 463 N 0.55 0.55 -0.37 3.56 3.64 -1.04 -1.66 116.57 121.81 1qwm h LYS 463 Ca 0.15 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.35 1qwm h LYS 463 Cb -0.01 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1qwm h LYS 463 CO -0.03 0.37 -0.34 0.37 -2.27 0.00 0.00 179.45 177.55 1qwm h GLN 464 N 0.57 0.88 -0.52 1.90 5.75 -0.38 -2.77 115.11 120.55 1qwm h GLN 464 Ca 0.34 -0.45 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1qwm h GLN 464 Cb 0.36 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.89 1qwm h GLN 464 CO -0.27 1.10 0.14 -0.07 -2.65 0.00 0.00 178.83 177.08 1qwm h LEU 465 N 0.68 0.72 -0.90 -2.39 3.38 -0.86 -1.03 115.31 114.90 1qwm h LEU 465 Ca 0.06 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1qwm h LEU 465 Cb 0.93 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.43 1qwm h LEU 465 CO 0.09 0.70 0.56 -0.33 0.09 0.00 0.00 178.44 179.55 1qwm h GLU 466 N 0.76 0.98 -0.52 1.13 4.39 -1.09 -1.09 114.58 119.14 1qwm h GLU 466 Ca 0.17 -0.06 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1qwm h GLU 466 Cb 0.26 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.65 1qwm h GLU 466 CO -0.01 0.65 0.33 0.45 -1.16 0.00 0.00 179.01 179.27 1qwm h HIS 467 N 1.01 0.62 -0.90 4.33 3.86 -0.93 -2.59 115.15 120.55 1qwm h HIS 467 Ca 0.40 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.62 1qwm h HIS 467 Cb 0.20 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1qwm h HIS 467 CO -0.03 0.37 0.54 0.74 0.86 0.00 0.00 177.93 180.42 1qwm h PHE 468 N 0.66 1.19 -0.94 2.45 0.05 -0.93 -2.76 116.94 116.66 1qwm h PHE 468 Ca 0.20 -0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.98 1qwm h PHE 468 Cb -0.03 -0.39 -0.05 0.00 2.00 0.00 0.00 35.95 37.48 1qwm h PHE 468 CO -0.05 0.79 0.57 -0.22 -0.18 0.00 0.00 178.31 179.23 1qwm h LYS 469 N 1.24 1.27 0.00 1.51 3.64 -0.89 -0.47 116.57 122.86 1qwm h LYS 469 Ca 0.32 -0.11 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 1qwm h LYS 469 Cb -0.05 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.49 1qwm h LYS 469 CO -0.06 0.88 -0.43 0.87 -2.27 0.00 0.00 179.45 178.44 1qwm h LYS 470 N 1.29 0.00 0.14 1.90 1.57 -1.20 -2.87 116.57 117.40 1qwm h LYS 470 Ca 0.34 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1qwm h LYS 470 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.24 1qwm h LYS 470 CO -0.06 0.43 -0.07 0.00 -0.57 0.00 0.00 179.45 179.18 1qwm h ALA 471 N 1.57 -0.18 -1.78 3.86 0.00 -1.17 -3.46 119.26 118.09 1qwm h ALA 471 Ca -0.00 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.74 1qwm h ALA 471 Cb 0.86 0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.49 1qwm h ALA 471 CO 0.06 -0.32 0.12 0.34 0.00 0.00 0.00 179.25 179.45 1qwm s ASP 472 N -5.50 -0.82 0.48 0.00 -1.08 -0.25 -4.32 116.67 105.18 1qwm s ASP 472 Ca -0.14 1.26 0.18 0.00 -0.52 0.00 0.00 52.55 53.33 1qwm s ASP 472 Cb 0.01 1.50 1.19 0.00 -1.46 0.00 0.00 42.92 44.16 1qwm s ASP 472 CO 0.54 -0.19 2.01 -0.65 0.52 0.00 0.00 175.17 177.40 1qwm h PRO 473 N 6.93 0.20 0.00 4.34 0.11 -1.76 -0.28 132.00 141.53 1qwm h PRO 473 Ca -0.26 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.76 1qwm h PRO 473 Cb 1.19 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1qwm h PRO 473 CO 0.15 0.13 -0.36 0.87 -0.21 0.00 0.00 178.00 178.59 1qwm h LYS 474 N 0.21 0.00 0.18 1.05 1.57 -1.91 -0.80 116.57 116.88 1qwm h LYS 474 Ca 0.22 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1qwm h LYS 474 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1qwm h LYS 474 CO -0.04 0.36 -0.09 -0.92 -0.57 0.00 0.00 179.45 178.19 1qwm h TYR 475 N 0.00 -0.23 -0.61 -1.35 -0.00 -1.33 -0.14 116.97 113.30 1qwm h TYR 475 Ca -0.00 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.73 58.68 1qwm h TYR 475 Cb 1.02 0.08 -0.03 0.00 -0.00 0.00 0.00 36.73 37.79 1qwm h TYR 475 CO 0.00 0.10 0.23 0.00 -0.00 0.00 0.00 178.16 178.49 1qwm h ALA 476 N 0.15 1.25 -0.43 1.82 0.00 -1.36 -1.61 119.26 119.08 1qwm h ALA 476 Ca -0.03 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1qwm h ALA 476 Cb 0.43 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1qwm h ALA 476 CO 0.04 0.54 0.13 1.49 0.00 0.00 0.00 179.25 181.46 1qwm h GLU 477 N 0.88 0.68 -0.49 0.00 4.81 -1.06 -1.32 114.58 118.09 1qwm h GLU 477 Ca 0.21 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 1qwm h GLU 477 Cb 0.19 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1qwm h GLU 477 CO -0.02 0.66 0.04 0.78 -0.73 0.00 0.00 179.01 179.74 1qwm h GLY 478 N 0.56 0.90 0.91 1.92 0.00 -0.80 -2.45 103.07 104.11 1qwm h GLY 478 Ca 0.14 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1qwm h GLY 478 CO -0.00 0.59 0.07 -2.08 0.00 0.00 0.00 176.54 175.11 1qwm h VAL 479 N 0.70 1.23 -0.84 4.60 2.07 -1.28 -2.41 116.25 120.31 1qwm h VAL 479 Ca 0.14 -0.77 0.09 0.00 0.82 0.00 0.00 66.70 66.98 1qwm h VAL 479 Cb 0.46 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 31.26 1qwm h VAL 479 CO 0.02 0.26 0.50 0.50 0.02 0.00 0.00 177.57 178.86 1qwm h LYS 480 N 0.38 0.82 -0.39 1.57 3.64 -1.18 0.22 116.57 121.62 1qwm h LYS 480 Ca 0.10 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 1qwm h LYS 480 Cb 0.32 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1qwm h LYS 480 CO 0.00 0.54 -0.08 -0.22 -2.27 0.00 0.00 179.45 177.42 1qwm h LYS 481 N 0.84 0.74 -0.58 1.90 3.64 -1.26 -1.50 116.57 120.34 1qwm h LYS 481 Ca 0.40 -0.28 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1qwm h LYS 481 Cb 0.34 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 1qwm h LYS 481 CO -0.23 0.87 -0.01 0.00 -2.27 0.00 0.00 179.45 177.81 1qwm h ALA 482 N 0.84 0.88 -0.08 5.00 0.00 -1.03 -2.39 119.26 122.49 1qwm h ALA 482 Ca 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.73 1qwm h ALA 482 Cb 0.59 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1qwm h ALA 482 CO 0.04 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.07 1qwm h LEU 483 N 0.94 -0.37 -1.07 0.00 5.85 -0.41 -1.46 115.31 118.79 1qwm h LEU 483 Ca 0.17 0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.93 1qwm h LEU 483 Cb 0.55 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.72 1qwm h LEU 483 CO 0.03 -0.17 0.33 -0.33 -0.34 0.00 0.00 178.44 177.97 1qwm h GLU 484 N -0.17 0.99 -0.74 1.25 5.08 -1.18 -0.56 114.58 119.26 1qwm h GLU 484 Ca 0.07 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1qwm h GLU 484 Cb 0.27 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1qwm h GLU 484 CO -0.18 0.77 0.31 -0.22 -1.00 0.00 0.00 179.01 178.69 1qwm h LYS 485 N 0.99 1.10 0.10 2.33 3.64 -1.18 -2.46 116.57 121.09 1qwm h LYS 485 Ca 0.24 -0.19 -0.27 0.00 -1.27 0.00 0.00 60.65 59.16 1qwm h LYS 485 Cb 0.10 -0.18 0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1qwm h LYS 485 CO -0.03 0.89 -1.18 0.45 -2.27 0.00 0.00 179.45 177.31 1qwm h HIS 486 N 1.06 0.73 -0.39 1.91 3.86 -0.84 -2.91 115.15 118.58 1qwm h HIS 486 Ca 0.25 -0.47 -0.00 0.00 -1.16 0.00 0.00 60.37 58.99 1qwm h HIS 486 Cb 0.19 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 1qwm h HIS 486 CO 0.02 1.33 0.23 1.96 0.86 0.00 0.00 177.93 182.32 1qwm h GLN 487 N 0.19 0.52 -0.19 2.45 4.20 -1.13 -1.80 115.11 119.35 1qwm h GLN 487 Ca -0.15 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.49 1qwm h GLN 487 Cb 1.86 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.52 1qwm h GLN 487 CO 0.21 0.37 -0.03 -0.22 -0.67 0.00 0.00 178.83 178.49 1qwm h LYS 488 N 0.53 0.35 0.00 1.46 3.64 -1.43 -2.69 116.57 118.43 1qwm h LYS 488 Ca 0.14 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1qwm h LYS 488 Cb -0.01 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 1qwm h LYS 488 CO -0.03 0.59 -0.06 0.52 -2.27 0.00 0.00 179.45 178.21 1qwm h MET 489 N 0.08 0.00 -0.02 1.90 2.86 -1.32 -3.52 114.93 114.91 1qwm h MET 489 Ca 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1qwm h MET 489 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1qwm h MET 489 CO 0.02 0.06 0.00 -1.33 1.06 0.00 0.00 176.91 176.71